elements
listlengths 1
9
| nsites
int32 1
444
| chemical_formula_anonymous
stringlengths 1
18
| chemical_formula_reduced
stringlengths 1
23
| chemical_formula_descriptive
stringlengths 2
34
| nelements
int8 1
9
| dimension_types
listlengths 3
3
| nperiodic_dimensions
int8 3
3
| lattice_vectors
listlengths 3
3
| immutable_id
stringlengths 4
13
⌀ | cartesian_site_positions
listlengths 1
444
| species
stringlengths 138
1.25k
| species_at_sites
listlengths 1
444
| last_modified
stringlengths 19
19
| elements_ratios
listlengths 1
9
| stress_tensor
listlengths 0
3
| energy
float64 -2,749.01
5.19k
| magnetic_moments
listlengths 0
444
| forces
listlengths 0
444
| total_magnetization
float64 -340.3
383
⌀ | dos_ef
float64 -14.23
392
⌀ | functional
stringclasses 1
value | cross_compatibility
bool 1
class | entalpic_fingerprint
stringlengths 37
62
⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Cd",
"Fe",
"Hg"
] | 4
|
A2BC
|
CdFeHg2
|
Cd1 Fe1 Hg2
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.401648,
3.401648
],
[
3.401648,
0,
3.401648
],
[
3.401648,
3.401648,
0
]
] |
oqmd-3898913
|
[
[
3.40166,
3.40166,
3.401659999999997
],
[
1.7008300000000018,
1.7008300000000018,
1.7008300000000018
],
[
0,
0,
0
],
[
5.10246,
5.10246,
5.102459999999996
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}]
|
[
"Cd",
"Fe",
"Hg",
"Hg"
] |
2024-11-01 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
10.1204,
-0.00471,
-0.00471
],
[
-0.00471,
10.1204,
-0.00471
],
[
-0.00471,
-0.00471,
10.1204
]
] | -8.01572
|
[
0,
0,
0,
0
] |
[
[
0.000292,
0.000292,
0.000292
],
[
-0.000045,
-0.000045,
-0.000045
],
[
-0.000359,
-0.000359,
-0.000359
],
[
0.000111,
0.000111,
0.000111
]
] | 2.76797
| null |
pbe
| true
|
9cfd42e2a8e97258cd0abeb4cdd0c906_216_Cd1Fe1Hg2
|
[
"Cd",
"Fe",
"Y"
] | 4
|
A2BC
|
CdFe2Y
|
Y1 Cd1 Fe2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.66108386,
0,
0
],
[
2.33054193,
4.03661703,
0
],
[
2.33054193,
1.34553901,
3.80575903
]
] |
agm002149842
|
[
[
6.99162579,
4.03661703,
2.8543192724999997
],
[
0,
0,
0
],
[
4.66108386,
2.69107802,
1.902879515
],
[
2.33054193,
1.34553901,
0.9514397575
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Fe",
"Fe",
"Cd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
10.323693,
0,
0
],
[
0,
10.323693,
0
],
[
0,
0,
10.323693
]
] | -23.078061
|
[
-0.337,
2.503,
2.503,
-0.062
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.33857
| 5.516197
|
pbe
| true
|
2f0df63b05a5b8f6baff2d7937d0f496_225_Y1Cd1Fe2
|
[
"Ge",
"Ho",
"Pd"
] | 16
|
A2BC
|
Ge2HoPd
|
Ho4 Ge8 Pd4
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.86719756,
0,
0
],
[
0,
6.5545091,
0
],
[
0,
0,
7.97415386
]
] |
agm005678715
|
[
[
2.0853696386582894,
1.638627275,
0.187920903403225
],
[
5.0189684186582895,
4.915881825,
3.799156026596775
],
[
3.7818279213417108,
4.915881825,
7.786232956596775
],
[
0.8482291413417108,
1.638627275,
4.174997833403225
],
[
5.2777592380105744,
0.303129069696431,
1.6753710815921563
],
[
2.344160458010574,
6.251380030303569,
2.3117058484078443
],
[
0.589438321989426,
3.580383619696431,
6.298782778407844
],
[
3.5230371019894258,
2.974125480303569,
5.662448011592157
],
[
0.589438321989426,
6.251380030303569,
6.298782778407844
],
[
3.5230371019894258,
0.303129069696431,
5.662448011592157
],
[
5.2777592380105744,
2.974125480303569,
1.6753710815921563
],
[
2.344160458010574,
3.580383619696431,
2.3117058484078443
],
[
3.808733481224457,
1.638627275,
3.509048574240731
],
[
0.8751347012244564,
4.915881825,
0.4780283557592692
],
[
2.0584640787755437,
4.915881825,
4.465105285759269
],
[
4.992062858775544,
1.638627275,
7.496125504240731
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Ho",
"Ho",
"Ho",
"Ho",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Pd",
"Pd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
4.1775985,
0,
0
],
[
0,
4.156412,
0
],
[
0,
0,
4.1485653
]
] | -86.944053
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00389146,
0,
-0.00187654
],
[
0.00389146,
0,
0.00187654
],
[
-0.00389146,
0,
0.00187654
],
[
-0.00389146,
0,
-0.00187654
],
[
0.00026779,
-0.00111065,
0.00448339
],
[
0.00026779,
0.00111065,
-0.00448339
],
[
-0.00026779,
-0.00111065,
-0.00448339
],
[
-0.00026779,
0.00111065,
0.00448339
],
[
-0.00026779,
0.00111065,
-0.00448339
],
[
-0.00026779,
-0.00111065,
0.00448339
],
[
0.00026779,
0.00111065,
0.00448339
],
[
0.00026779,
-0.00111065,
-0.00448339
],
[
-0.00223445,
0,
-0.00343933
],
[
-0.00223445,
0,
0.00343933
],
[
0.00223445,
0,
0.00343933
],
[
0.00223445,
0,
-0.00343933
]
] | 0
| 2.849365
|
pbe
| true
|
572e1c17f51406c6e2731a5d11b36959_62_Ho4Ge8Pd4
|
[
"Hg",
"Ho",
"Pm"
] | 4
|
A2BC
|
HgHo2Pm
|
Pm1 Ho2 Hg1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.80388891,
0,
0
],
[
0,
4.84072208,
0
],
[
0,
0,
4.84072208
]
] |
agm001219936
|
[
[
2.401944455,
2.42036104,
2.42036104
],
[
2.401944455,
0,
0
],
[
0,
0,
2.42036104
],
[
0,
2.42036104,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"Pm",
"Hg",
"Ho",
"Ho"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
1.512958,
0,
0
],
[
0,
1.1678085,
0
],
[
0,
0,
1.1678085
]
] | -14.830101
|
[
0.106,
0,
0.108,
0.108
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.422759
| 5.293303
|
pbe
| true
|
d5e2f2030ebb62328b27d8c821bcaf3c_123_Pm1Ho2Hg1
|
[
"K",
"O",
"S",
"W"
] | 88
|
A14B4C3D
|
K4O14S3W
|
K16 O56 S12 W4
| 4
|
[
1,
1,
1
] | 3
|
[
[
9.6599101,
-0.01966284,
0
],
[
-0.20124792,
10.45823232,
0
],
[
0,
0,
14.28222005
]
] |
mp-559294
|
[
[
4.850805655215001,
2.0832918712068866,
7.217957652312032
],
[
1.6884268052839788,
1.7254939406404728,
9.628700420233297
],
[
7.218949313681178,
2.378016371051945,
11.145427629016739
],
[
7.170291876318821,
2.8216055289480555,
4.004317604016741
],
[
7.540910548185077,
5.477444087157321,
7.7315884178591805
],
[
9.538435534784998,
3.1163300287931137,
0.0768476273120325
],
[
6.647082721814923,
10.18041013284268,
0.59047839285918
],
[
2.239712866318822,
8.060553108948055,
3.1367924209832596
],
[
2.8115794581850775,
0.2581593471573204,
13.691741657140819
],
[
1.9177516318149221,
4.96112539284268,
6.55063163214082
],
[
2.288370303681178,
7.616963951051946,
10.27790244598326
],
[
3.040904284716021,
3.493790799359527,
2.4875903952332963
],
[
6.417757895283978,
6.944778680640474,
11.794629654766702
],
[
4.6078565247849985,
8.355277608793113,
7.064262397687967
],
[
-0.07977335478499921,
7.322239451206887,
14.205372422687967
],
[
7.770235374716021,
8.713075539359528,
4.653519629766704
],
[
3.139075581156411,
4.346892619860055,
12.538128610174786
],
[
7.868406671156411,
9.566177359860056,
8.885201464825213
],
[
1.5902555088435884,
0.8723921201399448,
5.397018585174786
],
[
6.319586598843587,
6.091676860139945,
1.7440914398252134
],
[
9.219032968355148,
9.9457842361683,
12.056994179907404
],
[
8.785364069982707,
2.1411652309838374,
7.179639027206684
],
[
9.33459098860223,
5.4397223882732995,
3.1346219520022607
],
[
4.968960301644851,
5.712069983831699,
4.915884154907404
],
[
3.8547850599827065,
7.380112810983838,
14.243691047793316
],
[
5.603877120017293,
3.0584566690161625,
0.038529002206684496
],
[
4.853402281397768,
10.218131831726701,
10.27573197700226
],
[
0.239629211644851,
0.4927852438316988,
2.225225870092596
],
[
0.12407119139776901,
4.998847091726701,
11.147598097997738
],
[
0.6732981100172931,
8.297404249016163,
7.1025810227933155
],
[
4.489701878355149,
4.726499496168302,
9.366335895092595
],
[
4.60525989860223,
0.22043764827329881,
4.0064880729977395
],
[
0.047176837964996374,
5.8158200082840885,
9.939500809518364
],
[
7.210045366968079,
9.439071031420752,
7.243760910809765
],
[
0.7394707724127976,
9.216078481407692,
5.912336652198641
],
[
0.5177178534658703,
0.1433549071816032,
3.7170284625557826
],
[
4.8631711450806865,
4.418020687194949,
5.6090311435292115
],
[
3.3746833758875305,
3.9066178806204,
8.848980183734207
],
[
3.6864771517191817,
6.457723642003766,
4.943229893170537
],
[
8.869858706151131,
5.404847175289304,
12.221630472022971
],
[
8.10401446588753,
9.1259026206204,
12.574349891265792
],
[
4.480906332035003,
9.861697051715911,
2.7983907845183635
],
[
6.704550809848318,
7.684853574127789,
2.376572699273839
],
[
0.044853280938884584,
3.5552993314306818,
10.910827454008839
],
[
0.0400601161407984,
3.2545458725629106,
7.483073504323165
],
[
8.940944326534128,
10.295214572818397,
10.565191587444218
],
[
4.684477809061114,
1.6639854085693189,
3.7697174290088387
],
[
9.411485342035002,
4.622749471715911,
4.342719240481636
],
[
6.977947903031921,
6.218783188579248,
0.10265088580976599
],
[
6.935192431448653,
2.6068634449366046,
13.914758951688171
],
[
2.0046134214486533,
7.845811024936605,
7.508571123311827
],
[
0.8416060182808184,
9.219793417996234,
12.084339918170537
],
[
0.588803473848867,
5.033722304710696,
2.060589577977028
],
[
9.322456280646115,
1.3069297656972167,
5.983228736572023
],
[
9.418602063859202,
7.18402360743709,
6.799146545676835
],
[
9.413808899061113,
6.883270148569319,
3.371392595991161
],
[
2.2486168130319206,
0.9994984485792481,
7.038459139190234
],
[
-0.0674078649193134,
9.65696826719495,
1.5320788814707877
],
[
7.454048758551346,
2.5927584550633958,
6.773648926688171
],
[
5.670049782412797,
3.9771309014076914,
1.228773372801359
],
[
2.9390227737498287,
10.363172573415925,
4.590079579348809
],
[
4.769391206140798,
8.473830612562912,
13.940256570676834
],
[
5.24704894346587,
5.362639647181604,
3.424081562444217
],
[
6.51963940625017,
0.0753969065840748,
9.692140470651191
],
[
7.869601783749829,
5.124224993415925,
2.551030445651191
],
[
9.526070044919313,
0.7816012128050508,
12.750141168529211
],
[
4.595491034919313,
6.020548792805052,
8.673188906470788
],
[
1.9752197198483186,
2.4655688341277893,
4.76453732572616
],
[
2.5234697485513466,
7.831706035063395,
0.3674610983118285
],
[
2.7541113701516813,
2.753715905872211,
11.905647350726161
],
[
0.13620589935388436,
9.131639714302784,
8.298991313427974
],
[
7.4834424601516805,
7.973000645872212,
9.517682724273838
],
[
4.140527616151132,
0.18556243528930444,
9.201699602977028
],
[
2.480714276968079,
4.2197862914207525,
14.179569164190234
],
[
6.083978804112468,
6.5319515993796005,
5.433239866265792
],
[
4.21161323653413,
5.075929832818397,
10.858138487555781
],
[
8.719191407587202,
1.222490998592309,
8.369883397801358
],
[
4.977755847964996,
0.5768724282840888,
11.483829265481635
],
[
4.391877270646115,
6.5458773456972175,
1.1578812884279759
],
[
8.61705616171918,
1.2187760620037664,
2.1978801318294625
],
[
4.774184370938885,
8.774584071430683,
10.51250262099116
],
[
5.772185028280817,
3.9808458379962337,
9.338990156829462
],
[
5.066784909353884,
3.8926921343027834,
13.124338761572025
],
[
4.689270973859201,
1.9647388674370898,
0.341963479323165
],
[
3.7886123975872024,
6.461438578592309,
13.053446677198641
],
[
1.589060396250171,
5.314344486584075,
11.731189604348808
],
[
5.318134563848867,
10.253007044710696,
5.0805204470229715
],
[
1.3546477141124686,
1.3126668593796,
1.707870158734208
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"W",
"W",
"W",
"W",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2014-02-23 13:24:32
|
[
0.18181818181818182,
0.6363636363636364,
0.13636363636363635,
0.045454545454545456
] |
[] | -531.328274
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[] | 0
| -0.300088
|
pbe
| true
|
d311f5d8cd7099fc3aafee2cca6ecfe1_14_K16W4S12O56
|
[
"Hg",
"I",
"N"
] | 4
|
A2BC
|
HgI2N
|
Hg1 I2 N1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.85025647,
3.85025647
],
[
3.85025647,
0,
3.85025647
],
[
3.85025647,
3.85025647,
0
]
] |
agm002706415
|
[
[
1.925128235,
1.925128235,
1.925128235
],
[
5.7753847050000005,
5.7753847050000005,
5.7753847050000005
],
[
3.85025647,
3.85025647,
3.85025647
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"I",
"I",
"Hg",
"N"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
0.23003766,
0,
0
],
[
0,
0.23003766,
0
],
[
0,
0,
0.23003766
]
] | -6.291787
|
[
0.127,
0.127,
0.021,
1.765
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.018255
| 1.531058
|
pbe
| true
|
754cadad1ba6e2075c8e419bf9d2d727_225_Hg1I2N1
|
[
"Ac",
"As"
] | 5
|
A4B
|
Ac4As
|
Ac4 As1
| 2
|
[
1,
1,
1
] | 3
|
[
[
6.09938447,
0,
0
],
[
0,
6.09938447,
0
],
[
0,
0,
6.09938447
]
] |
agm006185379
|
[
[
3.049692235,
3.049692235,
3.049692235
],
[
0,
0,
0
],
[
3.049692235,
0,
3.049692235
],
[
0,
3.049692235,
3.049692235
],
[
3.049692235,
3.049692235,
0
]
] |
[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
|
[
"As",
"Ac",
"Ac",
"Ac",
"Ac"
] |
2023-11-16 06:57:59
|
[
0.8,
0.2
] |
[
[
0.3491482,
0,
0
],
[
0,
0.3491482,
0
],
[
0,
0,
0.3491482
]
] | -22.877344
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.002042
| 8.691478
|
pbe
| true
|
eb5538a88c7570951f2275bf793695f8_221_Ac4As1
|
[
"K",
"O",
"S",
"Zn"
] | 52
|
A8B2C2D
|
K2O8S2Zn
|
K8 O32 S8 Zn4
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.44070962,
0,
-0.16999675
],
[
0,
8.9426703,
0
],
[
-0.00459238,
0,
16.35036177
]
] |
mp-555652
|
[
[
1.4507284933373945,
7.652358425583573,
4.395564274706037
],
[
3.9993447150160266,
7.385587660476807,
8.418915871901754
],
[
1.2673301266626054,
3.181023275583573,
3.6946182352939627
],
[
1.2812860950160267,
6.028417789523193,
0.3287333619017558
],
[
3.9853887466626055,
1.290311874416427,
11.784800745293962
],
[
1.4367725249839731,
1.557082639523193,
7.761449148098245
],
[
4.154831144983973,
2.914252510476807,
15.851631658098244
],
[
4.168787113337394,
5.761647024416426,
12.485746784706036
],
[
1.3759968691414126,
0.267746052729684,
14.173797477460331
],
[
4.060120370858587,
8.674924247270315,
2.0065675425396674
],
[
4.098647869141413,
4.203589097270316,
5.913618217460332
],
[
1.3374693708585872,
4.739081202729684,
10.266746802539666
],
[
1.2762943136330818,
3.435887232892701,
13.420401033264126
],
[
4.053007294070597,
7.959410465362955,
15.04335020935649
],
[
3.9989453136330813,
1.035447917107299,
5.160221773264126
],
[
1.3349486740705978,
5.454594984637044,
6.95316769935649
],
[
1.383109945929402,
0.983259834637044,
1.1370148106435103
],
[
4.101168565929402,
3.488075315362956,
9.22719732064351
],
[
1.437171926366918,
7.907222382892701,
11.020143246735874
],
[
4.159822926366918,
5.506783067107299,
2.7599639867358734
],
[
1.8067933177755133,
5.52566882423376,
8.358575779152345
],
[
2.2928257512846595,
2.097876943630134,
1.4379082010030175
],
[
3.493276443039482,
0.406928700158448,
3.889290939686887
],
[
2.752816484952293,
3.3871550453598807,
13.445625181176228
],
[
2.079700028403274,
8.610440797977887,
1.408397757986249
],
[
4.713941226498396,
4.75639528555092,
1.611290648931576
],
[
3.444827013501604,
0.28506013555091997,
6.3088951110684235
],
[
5.010884371284659,
2.3734582063698655,
9.528090711003017
],
[
2.888362308232958,
3.4025164066944087,
10.130351612926496
],
[
3.1432914887153407,
6.844793356369865,
14.742456818996983
],
[
0.1703036882329582,
1.068818743305591,
2.0401691029264977
],
[
1.9428407969605184,
8.535741599841552,
12.291074080313113
],
[
0.7706254430394816,
4.0644064498415515,
12.149470199686887
],
[
4.797758648403274,
4.803564652022112,
9.498580267986249
],
[
2.5477549317670416,
5.5401538933055905,
6.050013407073502
],
[
5.2658135517670415,
7.873851556694409,
14.140195917073502
],
[
4.723801455536109,
6.9173167133955085,
2.755476260136057
],
[
0.7221760135016038,
4.1862750144490795,
14.569074371068423
],
[
3.43496678446389,
2.445981563395509,
5.164709499863943
],
[
2.683300755047706,
5.5555152546401185,
2.734739838823771
],
[
0.034757864952293396,
1.084180104640119,
5.355442671176228
],
[
0.4252328687153408,
6.569212093630134,
6.652274308996982
],
[
4.665491796960518,
4.878263850158448,
4.030894820313113
],
[
0.638358591596726,
4.139105647977888,
6.68178475201375
],
[
0.9066729222244866,
1.05433367423376,
16.081968500847655
],
[
1.991290226498396,
8.65761016444908,
9.871469908931575
],
[
5.401359375047707,
7.858490195359881,
10.82492234882377
],
[
4.529444317775513,
7.8883366257662395,
0.09839651915234429
],
[
0.7123157844638904,
2.025353586604491,
13.424888759863942
],
[
3.6293239222244864,
3.41700147576624,
7.8217892408476555
],
[
2.0011504555361097,
6.496688736604491,
11.015655520136056
],
[
3.356417211596726,
0.332229502022112,
14.771967262013751
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Zn",
"Zn",
"Zn",
"Zn",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2014-03-07 06:10:52
|
[
0.15384615384615385,
0.6153846153846154,
0.15384615384615385,
0.07692307692307693
] |
[] | -293.292045
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[] | 0
| -0.182547
|
pbe
| true
|
b2cd7abd52e4bd0c1d5e67a4bd8913ec_14_K8Zn4S8O32
|
[
"Ac",
"Gd"
] | 4
|
A3B
|
Ac3Gd
|
Ac3 Gd1
| 2
|
[
1,
1,
1
] | 3
|
[
[
3.79469159,
0,
0
],
[
0,
3.78731638,
0
],
[
0,
0,
12.12750148
]
] |
agm001829726
|
[
[
0,
1.89365819,
5.683993796905724
],
[
1.897345795,
1.89365819,
2.245771936816548
],
[
1.897345795,
0,
8.601757503404915
],
[
0,
0,
11.765976173705653
]
] |
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}]
|
[
"Ac",
"Ac",
"Ac",
"Gd"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
0.62139636,
0,
0
],
[
0,
0.67371684,
0
],
[
0,
0,
0.7072085
]
] | -25.560715
|
[
0.007,
0.041,
0.058,
7.334
] |
[
[
0,
0,
0.00086969
],
[
0,
0,
-0.006818
],
[
0,
0,
0.00317852
],
[
0,
0,
0.0027698
]
] | 8.075232
| 7.539388
|
pbe
| true
|
f89ab5c31fe52a51c5d84603f8f60e29_25_Ac3Gd1
|
[
"Ge",
"Ho",
"Re"
] | 4
|
A2BC
|
Ge2HoRe
|
Ho1 Re1 Ge2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.66688213,
0,
0
],
[
2.33344107,
4.04163848,
0
],
[
2.33344107,
1.34721283,
3.71297679
]
] |
agm001925940
|
[
[
0,
0,
0
],
[
2.3334387574180258,
1.3472114937839827,
0.9557366371034118
],
[
7.000325512581974,
4.0416398162160165,
2.757240152896588
],
[
4.666882135,
2.694425655,
1.856488395
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Ge",
"Ge",
"Ho"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
3.2402005,
0,
0
],
[
0,
3.2402005,
0
],
[
0,
0,
2.5895438
]
] | -26.849644
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.00084204
],
[
0,
0,
0.00084204
],
[
0,
0,
0
]
] | 0.000003
| 2.319961
|
pbe
| true
|
d6d87aff361b5c0376e195370e525429_166_Ho1Re1Ge2
|
[
"K",
"O",
"Sc",
"Se"
] | 10
|
A6B2CD
|
KO6ScSe2
|
K1 Sc1 Se2 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.49812202,
-0.00000395,
0
],
[
2.74906443,
4.76151137,
0
],
[
2.74906215,
1.58716914,
6.19900209
]
] |
agm004973097
|
[
[
0,
0,
0
],
[
5.498124300000001,
3.17433828,
3.099501045
],
[
8.247189226552772,
4.761509023040832,
4.984862193191471
],
[
2.749059373447228,
1.5871675369591685,
1.2141398968085284
],
[
3.798744020496973,
3.5603627522342127,
4.327250230996914
],
[
6.013507440742256,
1.5096195504037728,
4.327250230996914
],
[
4.314127161239229,
1.8956440226379851,
1.8717518590030853
],
[
7.197504579503027,
2.7883138077657876,
1.8717518590030853
],
[
4.982741159257744,
4.839057009596227,
1.8717518590030853
],
[
6.68212143876077,
4.453032537362015,
4.327250230996914
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"K",
"Sc",
"Se",
"Se",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1,
0.6,
0.1,
0.2
] |
[
[
0.6035051,
-0.00000501,
0
],
[
0.00000501,
0.6035051,
0
],
[
0,
0,
0.93321055
]
] | -60.869027
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00479971
],
[
0,
0,
0.00479971
],
[
-0.00082431,
-0.0017681,
0.00050273
],
[
0.00194337,
0.00017017,
0.00050273
],
[
0.00111906,
-0.00159792,
-0.00050273
],
[
0.00082431,
0.0017681,
-0.00050273
],
[
-0.00194337,
-0.00017017,
-0.00050273
],
[
-0.00111906,
0.00159792,
0.00050273
]
] | 0
| 0
|
pbe
| true
|
82a71e8c368278ad661cddb220f4bdf7_148_K1Sc1Se2O6
|
[
"Al",
"Zr"
] | 4
|
A3B
|
AlZr3
|
Al1 Zr3
| 2
|
[
1,
1,
1
] | 3
|
[
[
-2.152263,
2.152263,
4.593556
],
[
2.152263,
-2.152263,
4.593556
],
[
2.152263,
2.152263,
-4.593556
]
] |
oqmd-1991212
|
[
[
0,
0,
0
],
[
-6.338206116598623e-17,
6.338206116598623e-17,
4.593560000000002
],
[
-1.8569312458302695e-15,
2.1522600000000014,
2.296780000000001
],
[
2.1522600000000014,
-2.078975850755301e-15,
2.296780000000001
]
] |
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Al",
"Zr",
"Zr",
"Zr"
] |
2024-11-01 00:00:00
|
[
0.25,
0.75
] |
[
[
0.15337,
0,
0
],
[
0,
0.15337,
0
],
[
0,
0,
0.10953
]
] | -30.4416
|
[
0,
0.001,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000442
| null |
pbe
| true
|
7297b9fdcbf2ef74fd82e623893abc43_139_Zr3Al1
|
[
"Ge",
"Ho",
"Th"
] | 10
|
A2B2C
|
Ge2HoTh2
|
Ho2 Th4 Ge4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.24775907,
0,
0
],
[
0,
7.84497312,
0
],
[
0,
0,
7.84497312
]
] |
agm003407515
|
[
[
0,
0,
0
],
[
0,
3.92248656,
3.92248656
],
[
2.123879535,
1.308707123798563,
5.231193683798563
],
[
2.123879535,
5.231193683798563,
6.536265996201436
],
[
2.123879535,
6.536265996201436,
2.613779436201437
],
[
2.123879535,
2.613779436201437,
1.308707123798563
],
[
0,
2.852225197591363,
6.774711757591363
],
[
0,
6.774711757591363,
4.992747922408637
],
[
0,
4.992747922408637,
1.0702613624086368
],
[
0,
1.0702613624086368,
2.852225197591363
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}]
|
[
"Ho",
"Ho",
"Th",
"Th",
"Th",
"Th",
"Ge",
"Ge",
"Ge",
"Ge"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.4
] |
[
[
1.0369215,
0,
0
],
[
0,
1.449136,
0
],
[
0,
0,
1.449136
]
] | -64.566451
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00182783,
-0.00182783
],
[
0,
-0.00182783,
0.00182783
],
[
0,
0.00182783,
0.00182783
],
[
0,
0.00182783,
-0.00182783
],
[
0,
0.00938072,
0.00938072
],
[
0,
0.00938072,
-0.00938072
],
[
0,
-0.00938072,
-0.00938072
],
[
0,
-0.00938072,
0.00938072
]
] | 0
| 7.212812
|
pbe
| true
|
b50efc470b0110929459bd542a152309_127_Ho2Th4Ge4
|
[
"Cd",
"Ge",
"Nb"
] | 4
|
A2BC
|
CdGe2Nb
|
Cd1 Ge2 Nb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.360536615,
3.360536615
],
[
3.360536615,
0,
3.360536615
],
[
3.360536615,
3.360536615,
0
]
] |
oqmd-7211996
|
[
[
3.3605399999999994,
3.3605399999999994,
3.3605399999999994
],
[
0,
0,
0
],
[
1.6802699999999997,
1.6802699999999997,
1.6802699999999997
],
[
5.0408,
5.0408,
5.0408
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
|
[
"Cd",
"Ge",
"Ge",
"Nb"
] |
2024-11-01 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
18.39239268,
0,
0
],
[
0,
18.39239268,
0
],
[
0,
0,
18.39239268
]
] | -18.1867
|
[
0.013,
-0.017,
0.002,
0.788
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.950081
| null |
pbe
| true
|
3cd6b69af72fede30a480bc280d1525f_216_Nb1Cd1Ge2
|
[
"Cd",
"Ge",
"Pa"
] | 3
|
ABC
|
CdGePa
|
Cd1 Ge1 Pa1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.464880249,
3.464880249
],
[
3.464880249,
0,
3.464880249
],
[
3.464880249,
3.464880249,
0
]
] |
oqmd-6985881
|
[
[
5.19732,
5.19732,
5.19732
],
[
1.73244,
1.73244,
1.73244
],
[
3.46488,
3.46488,
3.46488
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]
|
[
"Cd",
"Ge",
"Pa"
] |
2024-11-01 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
5.30223982,
0,
0
],
[
0,
5.30223982,
0
],
[
0,
0,
5.30223982
]
] | -13.9609
|
[
0.035,
-0.009,
0.761
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.929029
| null |
pbe
| true
|
c71b3757032a2951824b6149cd5456c3_216_Pa1Cd1Ge1
|
[
"K",
"O",
"Si",
"Sr"
] | 272
|
A9B4C3D
|
K4O9Si3Sr
|
K64 O144 Si48 Sr16
| 4
|
[
1,
1,
1
] | 3
|
[
[
16.37721873,
0,
0
],
[
0,
16.37721873,
0
],
[
0,
0,
16.37721873
]
] |
mp-1203391
|
[
[
8.188609365,
8.188609365,
0
],
[
8.188609365,
0,
8.188609365
],
[
0,
8.188609365,
8.188609365
],
[
0,
0,
0
],
[
0,
0,
8.188609365
],
[
0,
8.188609365,
0
],
[
8.188609365,
0,
0
],
[
8.188609365,
8.188609365,
8.188609365
],
[
4.109973095203366,
12.267245634796634,
4.078636269796634
],
[
12.267245634796634,
4.078636269796634,
4.109973095203366
],
[
4.078636269796634,
4.109973095203366,
12.267245634796634
],
[
12.298582460203365,
12.298582460203365,
12.298582460203365
],
[
12.267245634796634,
4.109973095203366,
12.298582460203365
],
[
4.109973095203366,
12.298582460203365,
12.267245634796634
],
[
12.298582460203365,
12.267245634796634,
4.109973095203366
],
[
4.078636269796634,
4.078636269796634,
4.078636269796634
],
[
1.8035377734253166,
14.547293654212533,
2.374442050098748
],
[
14.573680956574684,
6.358684289212532,
5.814167314901251
],
[
6.385071591574683,
1.8299250757874672,
10.563051415098748
],
[
9.992147138425315,
10.018534440787466,
14.00277667990125
],
[
2.374442050098748,
1.8035377734253166,
14.547293654212533
],
[
5.814167314901251,
14.573680956574684,
6.358684289212532
],
[
10.563051415098748,
6.385071591574683,
1.8299250757874672
],
[
14.00277667990125,
9.992147138425315,
10.018534440787466
],
[
14.547293654212533,
2.374442050098748,
1.8035377734253166
],
[
6.358684289212532,
5.814167314901251,
14.573680956574684
],
[
1.8299250757874672,
10.563051415098748,
6.385071591574683
],
[
10.018534440787466,
14.00277667990125,
9.992147138425315
],
[
14.573680956574684,
1.8299250757874672,
14.00277667990125
],
[
1.8035377734253166,
10.018534440787466,
10.563051415098748
],
[
9.992147138425315,
14.547293654212533,
5.814167314901251
],
[
6.385071591574683,
6.358684289212532,
2.374442050098748
],
[
14.00277667990125,
14.573680956574684,
1.8299250757874672
],
[
10.563051415098748,
1.8035377734253166,
10.018534440787466
],
[
5.814167314901251,
9.992147138425315,
14.547293654212533
],
[
2.374442050098748,
6.385071591574683,
6.358684289212532
],
[
1.8299250757874672,
14.00277667990125,
14.573680956574684
],
[
10.018534440787466,
10.563051415098748,
1.8035377734253166
],
[
14.547293654212533,
5.814167314901251,
9.992147138425315
],
[
6.358684289212532,
2.374442050098748,
6.385071591574683
],
[
5.8617305248534795,
9.631903026275873,
5.706173805557196
],
[
10.51548820514652,
1.4432936612758749,
2.482435559442803
],
[
2.3268788401465206,
6.745315703724124,
13.894783170557195
],
[
14.050339889853479,
14.933925068724125,
10.671044924442803
],
[
5.706173805557196,
5.8617305248534795,
9.631903026275873
],
[
2.482435559442803,
10.51548820514652,
1.4432936612758749
],
[
13.894783170557195,
2.3268788401465206,
6.745315703724124
],
[
10.671044924442803,
14.050339889853479,
14.933925068724125
],
[
9.631903026275873,
5.706173805557196,
5.8617305248534795
],
[
1.4432936612758749,
2.482435559442803,
10.51548820514652
],
[
6.745315703724124,
13.894783170557195,
2.3268788401465206
],
[
14.933925068724125,
10.671044924442803,
14.050339889853479
],
[
10.51548820514652,
6.745315703724124,
10.671044924442803
],
[
5.8617305248534795,
14.933925068724125,
13.894783170557195
],
[
14.050339889853479,
9.631903026275873,
2.482435559442803
],
[
2.3268788401465206,
1.4432936612758749,
5.706173805557196
],
[
10.671044924442803,
10.51548820514652,
6.745315703724124
],
[
13.894783170557195,
5.8617305248534795,
14.933925068724125
],
[
2.482435559442803,
14.050339889853479,
9.631903026275873
],
[
5.706173805557196,
2.3268788401465206,
1.4432936612758749
],
[
6.745315703724124,
10.671044924442803,
10.51548820514652
],
[
14.933925068724125,
13.894783170557195,
5.8617305248534795
],
[
9.631903026275873,
2.482435559442803,
14.050339889853479
],
[
1.4432936612758749,
5.706173805557196,
2.3268788401465206
],
[
6.168662040643339,
10.20855668935666,
2.0199473243566604
],
[
10.20855668935666,
2.0199473243566604,
6.168662040643339
],
[
2.0199473243566604,
6.168662040643339,
10.20855668935666
],
[
14.357271405643338,
14.357271405643338,
14.357271405643338
],
[
10.20855668935666,
6.168662040643339,
14.357271405643338
],
[
6.168662040643339,
14.357271405643338,
10.20855668935666
],
[
14.357271405643338,
10.20855668935666,
6.168662040643339
],
[
2.0199473243566604,
2.0199473243566604,
2.0199473243566604
],
[
2.080978667675878,
14.29624006232412,
6.107630697324121
],
[
14.29624006232412,
6.107630697324121,
2.080978667675878
],
[
6.107630697324121,
2.080978667675878,
14.29624006232412
],
[
10.269588032675879,
10.269588032675879,
10.269588032675879
],
[
14.29624006232412,
2.080978667675878,
10.269588032675879
],
[
2.080978667675878,
10.269588032675879,
14.29624006232412
],
[
10.269588032675879,
14.29624006232412,
2.080978667675878
],
[
6.107630697324121,
6.107630697324121,
6.107630697324121
],
[
4.552706473968633,
16.223911257924094,
3.5524329565579884
],
[
11.824512256031365,
8.035301892924094,
4.636176408442012
],
[
3.6359028910313667,
0.1533074720759046,
11.741042321557988
],
[
12.741315838968633,
8.341916837075905,
12.824785773442011
],
[
3.5524329565579884,
4.552706473968633,
16.223911257924094
],
[
4.636176408442012,
11.824512256031365,
8.035301892924094
],
[
11.741042321557988,
3.6359028910313667,
0.1533074720759046
],
[
12.824785773442011,
12.741315838968633,
8.341916837075905
],
[
16.223911257924094,
3.5524329565579884,
4.552706473968633
],
[
8.035301892924094,
4.636176408442012,
11.824512256031365
],
[
0.1533074720759046,
11.741042321557988,
3.6359028910313667
],
[
8.341916837075905,
12.824785773442011,
12.741315838968633
],
[
11.824512256031365,
0.1533074720759046,
12.824785773442011
],
[
4.552706473968633,
8.341916837075905,
11.741042321557988
],
[
12.741315838968633,
16.223911257924094,
4.636176408442012
],
[
3.6359028910313667,
8.035301892924094,
3.5524329565579884
],
[
12.824785773442011,
11.824512256031365,
0.1533074720759046
],
[
11.741042321557988,
4.552706473968633,
8.341916837075905
],
[
4.636176408442012,
12.741315838968633,
16.223911257924094
],
[
3.5524329565579884,
3.6359028910313667,
8.035301892924094
],
[
0.1533074720759046,
12.824785773442011,
11.824512256031365
],
[
8.341916837075905,
11.741042321557988,
4.552706473968633
],
[
16.223911257924094,
4.636176408442012,
12.741315838968633
],
[
8.035301892924094,
3.5524329565579884,
3.6359028910313667
],
[
4.199695360471296,
15.889849405358303,
0.3783651771298122
],
[
12.177523369528704,
7.701240040358305,
7.810244187870187
],
[
3.988914004528704,
0.4873693246416954,
8.566974542129811
],
[
12.388304725471295,
8.675978689641695,
15.998853552870187
],
[
0.3783651771298122,
4.199695360471296,
15.889849405358303
],
[
7.810244187870187,
12.177523369528704,
7.701240040358305
],
[
8.566974542129811,
3.988914004528704,
0.4873693246416954
],
[
15.998853552870187,
12.388304725471295,
8.675978689641695
],
[
15.889849405358303,
0.3783651771298122,
4.199695360471296
],
[
7.701240040358305,
7.810244187870187,
12.177523369528704
],
[
0.4873693246416954,
8.566974542129811,
3.988914004528704
],
[
8.675978689641695,
15.998853552870187,
12.388304725471295
],
[
12.177523369528704,
0.4873693246416954,
15.998853552870187
],
[
4.199695360471296,
8.675978689641695,
8.566974542129811
],
[
12.388304725471295,
15.889849405358303,
7.810244187870187
],
[
3.988914004528704,
7.701240040358305,
0.3783651771298122
],
[
15.998853552870187,
12.177523369528704,
0.4873693246416954
],
[
8.566974542129811,
4.199695360471296,
8.675978689641695
],
[
7.810244187870187,
12.388304725471295,
15.889849405358303
],
[
0.3783651771298122,
3.988914004528704,
7.701240040358305
],
[
0.4873693246416954,
15.998853552870187,
12.177523369528704
],
[
8.675978689641695,
8.566974542129811,
4.199695360471296
],
[
15.889849405358303,
7.810244187870187,
12.388304725471295
],
[
7.701240040358305,
0.3783651771298122,
3.988914004528704
],
[
1.279429270234425,
12.564907481013126,
4.469144171981617
],
[
15.097789459765574,
4.376298116013127,
3.7194651930183817
],
[
6.909180094765575,
3.8123112489868727,
12.657753536981616
],
[
9.468038635234425,
12.000920613986873,
11.908074558018383
],
[
4.469144171981617,
1.279429270234425,
12.564907481013126
],
[
3.7194651930183817,
15.097789459765574,
4.376298116013127
],
[
12.657753536981616,
6.909180094765575,
3.8123112489868727
],
[
11.908074558018383,
9.468038635234425,
12.000920613986873
],
[
12.564907481013126,
4.469144171981617,
1.279429270234425
],
[
4.376298116013127,
3.7194651930183817,
15.097789459765574
],
[
3.8123112489868727,
12.657753536981616,
6.909180094765575
],
[
12.000920613986873,
11.908074558018383,
9.468038635234425
],
[
15.097789459765574,
3.8123112489868727,
11.908074558018383
],
[
1.279429270234425,
12.000920613986873,
12.657753536981616
],
[
9.468038635234425,
12.564907481013126,
3.7194651930183817
],
[
6.909180094765575,
4.376298116013127,
4.469144171981617
],
[
11.908074558018383,
15.097789459765574,
3.8123112489868727
],
[
12.657753536981616,
1.279429270234425,
12.000920613986873
],
[
3.7194651930183817,
9.468038635234425,
12.564907481013126
],
[
4.469144171981617,
6.909180094765575,
4.376298116013127
],
[
3.8123112489868727,
11.908074558018383,
15.097789459765574
],
[
12.000920613986873,
12.657753536981616,
1.279429270234425
],
[
12.564907481013126,
3.7194651930183817,
9.468038635234425
],
[
4.376298116013127,
4.469144171981617,
6.909180094765575
],
[
0.4589671330591929,
13.533111620023247,
7.88789021959099
],
[
15.918251596940806,
5.344502255023248,
0.3007191454090092
],
[
7.729642231940807,
2.844107109976752,
16.07649958459099
],
[
8.647576498059193,
11.032716474976752,
8.489328510409008
],
[
7.88789021959099,
0.4589671330591929,
13.533111620023247
],
[
0.3007191454090092,
15.918251596940806,
5.344502255023248
],
[
16.07649958459099,
7.729642231940807,
2.844107109976752
],
[
8.489328510409008,
8.647576498059193,
11.032716474976752
],
[
13.533111620023247,
7.88789021959099,
0.4589671330591929
],
[
5.344502255023248,
0.3007191454090092,
15.918251596940806
],
[
2.844107109976752,
16.07649958459099,
7.729642231940807
],
[
11.032716474976752,
8.489328510409008,
8.647576498059193
],
[
15.918251596940806,
2.844107109976752,
8.489328510409008
],
[
0.4589671330591929,
11.032716474976752,
16.07649958459099
],
[
8.647576498059193,
13.533111620023247,
0.3007191454090092
],
[
7.729642231940807,
5.344502255023248,
7.88789021959099
],
[
8.489328510409008,
15.918251596940806,
2.844107109976752
],
[
16.07649958459099,
0.4589671330591929,
11.032716474976752
],
[
0.3007191454090092,
8.647576498059193,
13.533111620023247
],
[
7.88789021959099,
7.729642231940807,
5.344502255023248
],
[
2.844107109976752,
8.489328510409008,
15.918251596940806
],
[
11.032716474976752,
16.07649958459099,
0.4589671330591929
],
[
13.533111620023247,
0.3007191454090092,
8.647576498059193
],
[
5.344502255023248,
7.88789021959099,
7.729642231940807
],
[
0.6724875788343774,
10.148943285635086,
3.4528822310136227
],
[
15.704731151165623,
1.9603339206350858,
4.7357271339863765
],
[
7.516121786165622,
6.228275444364914,
11.641491596013623
],
[
8.861096943834376,
14.416884809364912,
12.924336498986376
],
[
3.4528822310136227,
0.6724875788343774,
10.148943285635086
],
[
4.7357271339863765,
15.704731151165623,
1.9603339206350858
],
[
11.641491596013623,
7.516121786165622,
6.228275444364914
],
[
12.924336498986376,
8.861096943834376,
14.416884809364912
],
[
10.148943285635086,
3.4528822310136227,
0.6724875788343774
],
[
1.9603339206350858,
4.7357271339863765,
15.704731151165623
],
[
6.228275444364914,
11.641491596013623,
7.516121786165622
],
[
14.416884809364912,
12.924336498986376,
8.861096943834376
],
[
15.704731151165623,
6.228275444364914,
12.924336498986376
],
[
0.6724875788343774,
14.416884809364912,
11.641491596013623
],
[
8.861096943834376,
10.148943285635086,
4.7357271339863765
],
[
7.516121786165622,
1.9603339206350858,
3.4528822310136227
],
[
12.924336498986376,
15.704731151165623,
6.228275444364914
],
[
11.641491596013623,
0.6724875788343774,
14.416884809364912
],
[
4.7357271339863765,
8.861096943834376,
10.148943285635086
],
[
3.4528822310136227,
7.516121786165622,
1.9603339206350858
],
[
6.228275444364914,
12.924336498986376,
15.704731151165623
],
[
14.416884809364912,
11.641491596013623,
0.6724875788343774
],
[
10.148943285635086,
4.7357271339863765,
8.861096943834376
],
[
1.9603339206350858,
3.4528822310136227,
7.516121786165622
],
[
4.2440109679493645,
9.536836055675408,
3.5556245489440905
],
[
12.133207762050633,
1.348226690675409,
4.6329848160559095
],
[
3.944598397050635,
6.840382674324591,
11.74423391394409
],
[
12.432620332949366,
15.02899203932459,
12.821594181055909
],
[
3.5556245489440905,
4.2440109679493645,
9.536836055675408
],
[
4.6329848160559095,
12.133207762050633,
1.348226690675409
],
[
11.74423391394409,
3.944598397050635,
6.840382674324591
],
[
12.821594181055909,
12.432620332949366,
15.02899203932459
],
[
9.536836055675408,
3.5556245489440905,
4.2440109679493645
],
[
1.348226690675409,
4.6329848160559095,
12.133207762050633
],
[
6.840382674324591,
11.74423391394409,
3.944598397050635
],
[
15.02899203932459,
12.821594181055909,
12.432620332949366
],
[
12.133207762050633,
6.840382674324591,
12.821594181055909
],
[
4.2440109679493645,
15.02899203932459,
11.74423391394409
],
[
12.432620332949366,
9.536836055675408,
4.6329848160559095
],
[
3.944598397050635,
1.348226690675409,
3.5556245489440905
],
[
12.821594181055909,
12.133207762050633,
6.840382674324591
],
[
11.74423391394409,
4.2440109679493645,
15.02899203932459
],
[
4.6329848160559095,
12.432620332949366,
9.536836055675408
],
[
3.5556245489440905,
3.944598397050635,
1.348226690675409
],
[
6.840382674324591,
12.821594181055909,
12.133207762050633
],
[
15.02899203932459,
11.74423391394409,
4.2440109679493645
],
[
9.536836055675408,
4.6329848160559095,
12.432620332949366
],
[
1.348226690675409,
3.5556245489440905,
3.944598397050635
],
[
5.474671664933034,
8.357455869751304,
0.37892969985943525
],
[
10.902547065066965,
0.1688465047513032,
7.809679665140565
],
[
2.7139377000669658,
8.019762860248695,
8.567539064859435
],
[
13.663281029933033,
16.208372225248695,
15.998289030140564
],
[
0.37892969985943525,
5.474671664933034,
8.357455869751304
],
[
7.809679665140565,
10.902547065066965,
0.1688465047513032
],
[
8.567539064859435,
2.7139377000669658,
8.019762860248695
],
[
15.998289030140564,
13.663281029933033,
16.208372225248695
],
[
8.357455869751304,
0.37892969985943525,
5.474671664933034
],
[
0.1688465047513032,
7.809679665140565,
10.902547065066965
],
[
8.019762860248695,
8.567539064859435,
2.7139377000669658
],
[
16.208372225248695,
15.998289030140564,
13.663281029933033
],
[
10.902547065066965,
8.019762860248695,
15.998289030140564
],
[
5.474671664933034,
16.208372225248695,
8.567539064859435
],
[
13.663281029933033,
8.357455869751304,
7.809679665140565
],
[
2.7139377000669658,
0.1688465047513032,
0.37892969985943525
],
[
15.998289030140564,
10.902547065066965,
8.019762860248695
],
[
8.567539064859435,
5.474671664933034,
16.208372225248695
],
[
7.809679665140565,
13.663281029933033,
8.357455869751304
],
[
0.37892969985943525,
2.7139377000669658,
0.1688465047513032
],
[
8.019762860248695,
15.998289030140564,
10.902547065066965
],
[
16.208372225248695,
8.567539064859435,
5.474671664933034
],
[
8.357455869751304,
7.809679665140565,
13.663281029933033
],
[
0.1688465047513032,
0.37892969985943525,
2.7139377000669658
],
[
0.1985891716868562,
12.34588625501091,
2.0628124015718132
],
[
16.178629558313144,
4.15727689001091,
6.125796963428186
],
[
7.990020193313144,
4.031332474989089,
10.251421766571813
],
[
8.387198536686856,
12.219941839989088,
14.314406328428186
],
[
2.0628124015718132,
0.1985891716868562,
12.34588625501091
],
[
6.125796963428186,
16.178629558313144,
4.15727689001091
],
[
10.251421766571813,
7.990020193313144,
4.031332474989089
],
[
14.314406328428186,
8.387198536686856,
12.219941839989088
],
[
12.34588625501091,
2.0628124015718132,
0.1985891716868562
],
[
4.15727689001091,
6.125796963428186,
16.178629558313144
],
[
4.031332474989089,
10.251421766571813,
7.990020193313144
],
[
12.219941839989088,
14.314406328428186,
8.387198536686856
],
[
16.178629558313144,
4.031332474989089,
14.314406328428186
],
[
0.1985891716868562,
12.219941839989088,
10.251421766571813
],
[
8.387198536686856,
12.34588625501091,
6.125796963428186
],
[
7.990020193313144,
4.15727689001091,
2.0628124015718132
],
[
14.314406328428186,
16.178629558313144,
4.031332474989089
],
[
10.251421766571813,
0.1985891716868562,
12.219941839989088
],
[
6.125796963428186,
8.387198536686856,
12.34588625501091
],
[
2.0628124015718132,
7.990020193313144,
4.15727689001091
],
[
4.031332474989089,
14.314406328428186,
16.178629558313144
],
[
12.219941839989088,
10.251421766571813,
0.1985891716868562
],
[
12.34588625501091,
6.125796963428186,
8.387198536686856
],
[
4.15727689001091,
2.0628124015718132,
7.990020193313144
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2019-01-12 07:15:15
|
[
0.23529411764705882,
0.5294117647058824,
0.17647058823529413,
0.058823529411764705
] |
[
[
0.02358591,
0,
0
],
[
0,
0.02358591,
0
],
[
0,
0,
0.02358591
]
] | -1,765.581402
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00013152,
-0.00013152,
-0.00013152
],
[
-0.00013152,
-0.00013152,
0.00013152
],
[
-0.00013152,
0.00013152,
-0.00013152
],
[
0.00013152,
0.00013152,
0.00013152
],
[
-0.00013152,
0.00013152,
0.00013152
],
[
0.00013152,
0.00013152,
-0.00013152
],
[
0.00013152,
-0.00013152,
0.00013152
],
[
-0.00013152,
-0.00013152,
-0.00013152
],
[
-0.00385406,
-0.00747188,
0.06577868
],
[
0.00385406,
-0.00747188,
-0.06577868
],
[
0.00385406,
0.00747188,
0.06577868
],
[
-0.00385406,
0.00747188,
-0.06577868
],
[
0.06577868,
-0.00385406,
-0.00747188
],
[
-0.06577868,
0.00385406,
-0.00747188
],
[
0.06577868,
0.00385406,
0.00747188
],
[
-0.06577868,
-0.00385406,
0.00747188
],
[
-0.00747188,
0.06577868,
-0.00385406
],
[
-0.00747188,
-0.06577868,
0.00385406
],
[
0.00747188,
0.06577868,
0.00385406
],
[
0.00747188,
-0.06577868,
-0.00385406
],
[
0.00385406,
0.00747188,
-0.06577868
],
[
-0.00385406,
0.00747188,
0.06577868
],
[
-0.00385406,
-0.00747188,
-0.06577868
],
[
0.00385406,
-0.00747188,
0.06577868
],
[
-0.06577868,
0.00385406,
0.00747188
],
[
0.06577868,
-0.00385406,
0.00747188
],
[
-0.06577868,
-0.00385406,
-0.00747188
],
[
0.06577868,
0.00385406,
-0.00747188
],
[
0.00747188,
-0.06577868,
0.00385406
],
[
0.00747188,
0.06577868,
-0.00385406
],
[
-0.00747188,
-0.06577868,
-0.00385406
],
[
-0.00747188,
0.06577868,
0.00385406
],
[
0.0280246,
-0.02126689,
-0.0117386
],
[
-0.0280246,
-0.02126689,
0.0117386
],
[
-0.0280246,
0.02126689,
-0.0117386
],
[
0.0280246,
0.02126689,
0.0117386
],
[
-0.0117386,
0.0280246,
-0.02126689
],
[
0.0117386,
-0.0280246,
-0.02126689
],
[
-0.0117386,
-0.0280246,
0.02126689
],
[
0.0117386,
0.0280246,
0.02126689
],
[
-0.02126689,
-0.0117386,
0.0280246
],
[
-0.02126689,
0.0117386,
-0.0280246
],
[
0.02126689,
-0.0117386,
-0.0280246
],
[
0.02126689,
0.0117386,
0.0280246
],
[
-0.0280246,
0.02126689,
0.0117386
],
[
0.0280246,
0.02126689,
-0.0117386
],
[
0.0280246,
-0.02126689,
0.0117386
],
[
-0.0280246,
-0.02126689,
-0.0117386
],
[
0.0117386,
-0.0280246,
0.02126689
],
[
-0.0117386,
0.0280246,
0.02126689
],
[
0.0117386,
0.0280246,
-0.02126689
],
[
-0.0117386,
-0.0280246,
-0.02126689
],
[
0.02126689,
0.0117386,
-0.0280246
],
[
0.02126689,
-0.0117386,
0.0280246
],
[
-0.02126689,
0.0117386,
0.0280246
],
[
-0.02126689,
-0.0117386,
-0.0280246
],
[
0.03789146,
-0.03789146,
-0.03789146
],
[
-0.03789146,
-0.03789146,
0.03789146
],
[
-0.03789146,
0.03789146,
-0.03789146
],
[
0.03789146,
0.03789146,
0.03789146
],
[
-0.03789146,
0.03789146,
0.03789146
],
[
0.03789146,
0.03789146,
-0.03789146
],
[
0.03789146,
-0.03789146,
0.03789146
],
[
-0.03789146,
-0.03789146,
-0.03789146
],
[
0.01106596,
-0.01106596,
-0.01106596
],
[
-0.01106596,
-0.01106596,
0.01106596
],
[
-0.01106596,
0.01106596,
-0.01106596
],
[
0.01106596,
0.01106596,
0.01106596
],
[
-0.01106596,
0.01106596,
0.01106596
],
[
0.01106596,
0.01106596,
-0.01106596
],
[
0.01106596,
-0.01106596,
0.01106596
],
[
-0.01106596,
-0.01106596,
-0.01106596
],
[
-0.0508849,
-0.10524254,
0.03291833
],
[
0.0508849,
-0.10524254,
-0.03291833
],
[
0.0508849,
0.10524254,
0.03291833
],
[
-0.0508849,
0.10524254,
-0.03291833
],
[
0.03291833,
-0.0508849,
-0.10524254
],
[
-0.03291833,
0.0508849,
-0.10524254
],
[
0.03291833,
0.0508849,
0.10524254
],
[
-0.03291833,
-0.0508849,
0.10524254
],
[
-0.10524254,
0.03291833,
-0.0508849
],
[
-0.10524254,
-0.03291833,
0.0508849
],
[
0.10524254,
0.03291833,
0.0508849
],
[
0.10524254,
-0.03291833,
-0.0508849
],
[
0.0508849,
0.10524254,
-0.03291833
],
[
-0.0508849,
0.10524254,
0.03291833
],
[
-0.0508849,
-0.10524254,
-0.03291833
],
[
0.0508849,
-0.10524254,
0.03291833
],
[
-0.03291833,
0.0508849,
0.10524254
],
[
0.03291833,
-0.0508849,
0.10524254
],
[
-0.03291833,
-0.0508849,
-0.10524254
],
[
0.03291833,
0.0508849,
-0.10524254
],
[
0.10524254,
-0.03291833,
0.0508849
],
[
0.10524254,
0.03291833,
-0.0508849
],
[
-0.10524254,
-0.03291833,
-0.0508849
],
[
-0.10524254,
0.03291833,
0.0508849
],
[
0.09427153,
0.05285714,
-0.02994114
],
[
-0.09427153,
0.05285714,
0.02994114
],
[
-0.09427153,
-0.05285714,
-0.02994114
],
[
0.09427153,
-0.05285714,
0.02994114
],
[
-0.02994114,
0.09427153,
0.05285714
],
[
0.02994114,
-0.09427153,
0.05285714
],
[
-0.02994114,
-0.09427153,
-0.05285714
],
[
0.02994114,
0.09427153,
-0.05285714
],
[
0.05285714,
-0.02994114,
0.09427153
],
[
0.05285714,
0.02994114,
-0.09427153
],
[
-0.05285714,
-0.02994114,
-0.09427153
],
[
-0.05285714,
0.02994114,
0.09427153
],
[
-0.09427153,
-0.05285714,
0.02994114
],
[
0.09427153,
-0.05285714,
-0.02994114
],
[
0.09427153,
0.05285714,
0.02994114
],
[
-0.09427153,
0.05285714,
-0.02994114
],
[
0.02994114,
-0.09427153,
-0.05285714
],
[
-0.02994114,
0.09427153,
-0.05285714
],
[
0.02994114,
0.09427153,
0.05285714
],
[
-0.02994114,
-0.09427153,
0.05285714
],
[
-0.05285714,
0.02994114,
-0.09427153
],
[
-0.05285714,
-0.02994114,
0.09427153
],
[
0.05285714,
0.02994114,
0.09427153
],
[
0.05285714,
-0.02994114,
-0.09427153
],
[
-0.04008612,
-0.03990201,
-0.09309843
],
[
0.04008612,
-0.03990201,
0.09309843
],
[
0.04008612,
0.03990201,
-0.09309843
],
[
-0.04008612,
0.03990201,
0.09309843
],
[
-0.09309843,
-0.04008612,
-0.03990201
],
[
0.09309843,
0.04008612,
-0.03990201
],
[
-0.09309843,
0.04008612,
0.03990201
],
[
0.09309843,
-0.04008612,
0.03990201
],
[
-0.03990201,
-0.09309843,
-0.04008612
],
[
-0.03990201,
0.09309843,
0.04008612
],
[
0.03990201,
-0.09309843,
0.04008612
],
[
0.03990201,
0.09309843,
-0.04008612
],
[
0.04008612,
0.03990201,
0.09309843
],
[
-0.04008612,
0.03990201,
-0.09309843
],
[
-0.04008612,
-0.03990201,
0.09309843
],
[
0.04008612,
-0.03990201,
-0.09309843
],
[
0.09309843,
0.04008612,
0.03990201
],
[
-0.09309843,
-0.04008612,
0.03990201
],
[
0.09309843,
-0.04008612,
-0.03990201
],
[
-0.09309843,
0.04008612,
-0.03990201
],
[
0.03990201,
0.09309843,
0.04008612
],
[
0.03990201,
-0.09309843,
-0.04008612
],
[
-0.03990201,
0.09309843,
-0.04008612
],
[
-0.03990201,
-0.09309843,
0.04008612
],
[
-0.06912424,
-0.08099564,
0.06428555
],
[
0.06912424,
-0.08099564,
-0.06428555
],
[
0.06912424,
0.08099564,
0.06428555
],
[
-0.06912424,
0.08099564,
-0.06428555
],
[
0.06428555,
-0.06912424,
-0.08099564
],
[
-0.06428555,
0.06912424,
-0.08099564
],
[
0.06428555,
0.06912424,
0.08099564
],
[
-0.06428555,
-0.06912424,
0.08099564
],
[
-0.08099564,
0.06428555,
-0.06912424
],
[
-0.08099564,
-0.06428555,
0.06912424
],
[
0.08099564,
0.06428555,
0.06912424
],
[
0.08099564,
-0.06428555,
-0.06912424
],
[
0.06912424,
0.08099564,
-0.06428555
],
[
-0.06912424,
0.08099564,
0.06428555
],
[
-0.06912424,
-0.08099564,
-0.06428555
],
[
0.06912424,
-0.08099564,
0.06428555
],
[
-0.06428555,
0.06912424,
0.08099564
],
[
0.06428555,
-0.06912424,
0.08099564
],
[
-0.06428555,
-0.06912424,
-0.08099564
],
[
0.06428555,
0.06912424,
-0.08099564
],
[
0.08099564,
-0.06428555,
0.06912424
],
[
0.08099564,
0.06428555,
-0.06912424
],
[
-0.08099564,
-0.06428555,
-0.06912424
],
[
-0.08099564,
0.06428555,
0.06912424
],
[
0.02896989,
0.03449062,
-0.02123907
],
[
-0.02896989,
0.03449062,
0.02123907
],
[
-0.02896989,
-0.03449062,
-0.02123907
],
[
0.02896989,
-0.03449062,
0.02123907
],
[
-0.02123907,
0.02896989,
0.03449062
],
[
0.02123907,
-0.02896989,
0.03449062
],
[
-0.02123907,
-0.02896989,
-0.03449062
],
[
0.02123907,
0.02896989,
-0.03449062
],
[
0.03449062,
-0.02123907,
0.02896989
],
[
0.03449062,
0.02123907,
-0.02896989
],
[
-0.03449062,
-0.02123907,
-0.02896989
],
[
-0.03449062,
0.02123907,
0.02896989
],
[
-0.02896989,
-0.03449062,
0.02123907
],
[
0.02896989,
-0.03449062,
-0.02123907
],
[
0.02896989,
0.03449062,
0.02123907
],
[
-0.02896989,
0.03449062,
-0.02123907
],
[
0.02123907,
-0.02896989,
-0.03449062
],
[
-0.02123907,
0.02896989,
-0.03449062
],
[
0.02123907,
0.02896989,
0.03449062
],
[
-0.02123907,
-0.02896989,
0.03449062
],
[
-0.03449062,
0.02123907,
-0.02896989
],
[
-0.03449062,
-0.02123907,
0.02896989
],
[
0.03449062,
0.02123907,
0.02896989
],
[
0.03449062,
-0.02123907,
-0.02896989
],
[
-0.02131156,
0.01780174,
-0.02761078
],
[
0.02131156,
0.01780174,
0.02761078
],
[
0.02131156,
-0.01780174,
-0.02761078
],
[
-0.02131156,
-0.01780174,
0.02761078
],
[
-0.02761078,
-0.02131156,
0.01780174
],
[
0.02761078,
0.02131156,
0.01780174
],
[
-0.02761078,
0.02131156,
-0.01780174
],
[
0.02761078,
-0.02131156,
-0.01780174
],
[
0.01780174,
-0.02761078,
-0.02131156
],
[
0.01780174,
0.02761078,
0.02131156
],
[
-0.01780174,
-0.02761078,
0.02131156
],
[
-0.01780174,
0.02761078,
-0.02131156
],
[
0.02131156,
-0.01780174,
0.02761078
],
[
-0.02131156,
-0.01780174,
-0.02761078
],
[
-0.02131156,
0.01780174,
0.02761078
],
[
0.02131156,
0.01780174,
-0.02761078
],
[
0.02761078,
0.02131156,
-0.01780174
],
[
-0.02761078,
-0.02131156,
-0.01780174
],
[
0.02761078,
-0.02131156,
0.01780174
],
[
-0.02761078,
0.02131156,
0.01780174
],
[
-0.01780174,
0.02761078,
0.02131156
],
[
-0.01780174,
-0.02761078,
-0.02131156
],
[
0.01780174,
0.02761078,
-0.02131156
],
[
0.01780174,
-0.02761078,
0.02131156
],
[
0.04249349,
0.04913782,
0.03588648
],
[
-0.04249349,
0.04913782,
-0.03588648
],
[
-0.04249349,
-0.04913782,
0.03588648
],
[
0.04249349,
-0.04913782,
-0.03588648
],
[
0.03588648,
0.04249349,
0.04913782
],
[
-0.03588648,
-0.04249349,
0.04913782
],
[
0.03588648,
-0.04249349,
-0.04913782
],
[
-0.03588648,
0.04249349,
-0.04913782
],
[
0.04913782,
0.03588648,
0.04249349
],
[
0.04913782,
-0.03588648,
-0.04249349
],
[
-0.04913782,
0.03588648,
-0.04249349
],
[
-0.04913782,
-0.03588648,
0.04249349
],
[
-0.04249349,
-0.04913782,
-0.03588648
],
[
0.04249349,
-0.04913782,
0.03588648
],
[
0.04249349,
0.04913782,
-0.03588648
],
[
-0.04249349,
0.04913782,
0.03588648
],
[
-0.03588648,
-0.04249349,
-0.04913782
],
[
0.03588648,
0.04249349,
-0.04913782
],
[
-0.03588648,
0.04249349,
0.04913782
],
[
0.03588648,
-0.04249349,
0.04913782
],
[
-0.04913782,
-0.03588648,
-0.04249349
],
[
-0.04913782,
0.03588648,
0.04249349
],
[
0.04913782,
-0.03588648,
0.04249349
],
[
0.04913782,
0.03588648,
-0.04249349
],
[
-0.02065543,
-0.05373905,
-0.00548664
],
[
0.02065543,
-0.05373905,
0.00548664
],
[
0.02065543,
0.05373905,
-0.00548664
],
[
-0.02065543,
0.05373905,
0.00548664
],
[
-0.00548664,
-0.02065543,
-0.05373905
],
[
0.00548664,
0.02065543,
-0.05373905
],
[
-0.00548664,
0.02065543,
0.05373905
],
[
0.00548664,
-0.02065543,
0.05373905
],
[
-0.05373905,
-0.00548664,
-0.02065543
],
[
-0.05373905,
0.00548664,
0.02065543
],
[
0.05373905,
-0.00548664,
0.02065543
],
[
0.05373905,
0.00548664,
-0.02065543
],
[
0.02065543,
0.05373905,
0.00548664
],
[
-0.02065543,
0.05373905,
-0.00548664
],
[
-0.02065543,
-0.05373905,
0.00548664
],
[
0.02065543,
-0.05373905,
-0.00548664
],
[
0.00548664,
0.02065543,
0.05373905
],
[
-0.00548664,
-0.02065543,
0.05373905
],
[
0.00548664,
-0.02065543,
-0.05373905
],
[
-0.00548664,
0.02065543,
-0.05373905
],
[
0.05373905,
0.00548664,
0.02065543
],
[
0.05373905,
-0.00548664,
-0.02065543
],
[
-0.05373905,
0.00548664,
-0.02065543
],
[
-0.05373905,
-0.00548664,
0.02065543
]
] | 0
| 1.018982
|
pbe
| true
|
795ae9f4fe07ba5ab3fcc91b47d452c8_205_K64Sr16Si48O144
|
[
"K",
"O",
"Si",
"Tb"
] | 20
|
A6B2CD
|
KO6Si2Tb
|
K2 Tb2 Si4 O12
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.12311047,
0.55276505,
0.67799401
],
[
-0.32346439,
7.13719992,
0.67799401
],
[
-1.246406,
-1.4096055,
5.13084812
]
] |
agm004944432
|
[
[
0.6737549793928957,
5.6275086589738885,
1.9607060399999998
],
[
4.879485100607104,
0.6528508110261101,
4.5261301
],
[
3.9554813706045033,
2.725729775347254,
1.9607060399999998
],
[
1.5977587093954968,
3.5546296946527454,
4.5261301
],
[
1.1221842846350394,
0.03557413276706682,
4.313197390145349
],
[
5.032117807222557,
4.457458959155672,
4.739062809854651
],
[
4.431055795364959,
6.2447853372329325,
2.1736387498546508
],
[
0.5211222727774439,
1.822900510844327,
1.7477733301453489
],
[
6.161344035815623,
2.8772160309871064,
2.0396721362135546
],
[
4.07519498063643,
0.517914830687142,
1.8817399437864455
],
[
-0.6081039558156225,
3.403143439012893,
4.447164003786446
],
[
1.4780450993635712,
5.762444639312858,
4.605096196213554
],
[
1.1779697391292587,
1.1670335815867097,
0.33823078860638983
],
[
5.1624056652632175,
5.67317586034507,
3.5831812913936103
],
[
4.375270340870742,
5.11332588841329,
6.14860535139361
],
[
0.39083441473678304,
0.6071836096549296,
2.9036548486063896
],
[
1.6041910889518625,
2.909516262896214,
2.329233422707099
],
[
3.4852126841078674,
5.036831421863639,
1.5921786572929009
],
[
3.9490489910481372,
3.3708432071037855,
4.1576027172929
],
[
2.068027395892133,
1.2435280481363598,
4.894657482707099
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"K",
"K",
"Tb",
"Tb",
"Si",
"Si",
"Si",
"Si",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1,
0.6,
0.2,
0.1
] |
[
[
0.47081095,
0.00093861,
-0.08729888
],
[
0.00093861,
0.4710425,
-0.09872945
],
[
-0.08729887,
-0.09872945,
0.4382284
]
] | -150.730874
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00011334,
-0.00010022,
0
],
[
-0.00011334,
0.00010022,
0
],
[
-0.00085219,
0.00075353,
0
],
[
0.00085219,
-0.00075353,
0
],
[
0.00086915,
0.00374749,
0.00001347
],
[
-0.00361289,
-0.00132141,
-0.00001347
],
[
-0.00086915,
-0.00374749,
-0.00001347
],
[
0.00361289,
0.00132141,
0.00001347
],
[
0.00037028,
-0.00277272,
-0.00140059
],
[
0.0027972,
-0.00002804,
0.00140059
],
[
-0.00037028,
0.00277272,
0.00140059
],
[
-0.0027972,
0.00002804,
-0.00140059
],
[
-0.00032899,
0.00073334,
0.00295726
],
[
-0.0007681,
0.00023674,
-0.00295726
],
[
0.00032899,
-0.00073334,
-0.00295726
],
[
0.0007681,
-0.00023674,
0.00295726
],
[
-0.00047203,
-0.00237531,
0.00313228
],
[
0.00229965,
0.00075928,
-0.00313228
],
[
0.00047203,
0.00237531,
-0.00313228
],
[
-0.00229965,
-0.00075928,
0.00313228
]
] | 0
| 0
|
pbe
| true
|
ac23b0de9808e395a298149aa6f0c836_15_K2Tb2Si4O12
|
[
"Cs",
"I"
] | 10
|
A4B
|
CsI4
|
Cs2 I8
| 2
|
[
1,
1,
1
] | 3
|
[
[
9.18094729,
0,
0
],
[
0,
9.18094729,
0
],
[
4.59047364,
4.59047364,
6.60000398
]
] |
agm004477561
|
[
[
9.1809472875,
4.5904736425,
3.30000199
],
[
4.5904736425,
9.1809472875,
3.30000199
],
[
4.590473645,
4.590473645,
0
],
[
0,
0,
0
],
[
4.590473642775332,
4.590473642775332,
2.9365640588360464
],
[
9.180947287224669,
9.180947287224669,
3.663439921163954
],
[
2.108179244702004,
2.108179244702004,
0
],
[
7.072768045297997,
7.072768045297997,
0
],
[
7.072768045297997,
2.108179244702004,
0
],
[
2.108179244702004,
7.072768045297997,
0
]
] |
[{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
"Cs",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] |
2023-11-16 06:57:59
|
[
0.2,
0.8
] |
[
[
0.26007202,
0,
0
],
[
0,
0.26007202,
0
],
[
0,
0,
0.20673008
]
] | -19.89924
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00590601
],
[
0,
0,
0.00590601
],
[
-0.00123428,
-0.00123428,
0
],
[
0.00123428,
0.00123428,
0
],
[
0.00123428,
-0.00123428,
0
],
[
-0.00123428,
0.00123428,
0
]
] | 0
| 0
|
pbe
| true
|
08744b7077b2b562a80af8b34420630e_139_Cs2I8
|
[
"K",
"O",
"Si",
"U"
] | 96
|
A15B6C2D
|
K2O15Si6U
|
K8 O60 Si24 U4
| 4
|
[
1,
1,
1
] | 3
|
[
[
0,
-7.17643086,
0
],
[
-12.20341699,
3.58821543,
1.52047378
],
[
0.0011527,
0,
-17.32783015
]
] |
mp-1195515
|
[
[
-2.5139172724439534,
-3.2254437282795756,
-12.831381276591026
],
[
-9.687770667556045,
0.3627717017204244,
-11.639890168408975
],
[
-9.688347017556044,
-0.36277170172042394,
-2.975975093408975
],
[
-2.514493622443953,
-3.9509871317204235,
-4.167466201591026
],
[
-8.351764157926043,
-0.16923035844631285,
0.9618678057180226
],
[
-3.851076482073956,
-3.757445716682004,
-8.105309100718022
],
[
-3.8505001320739556,
-3.4189850715536876,
-16.769224175718023
],
[
-8.351187807926044,
0.16923028668200368,
-7.702047269281977
],
[
-2.9597978507298865,
0.22876057477341905,
-14.756122707892777
],
[
-9.241890089270113,
-3.3594547834622728,
-9.715148737107224
],
[
-9.242466439270112,
-3.816976004773419,
-1.0512336621072242
],
[
-2.9603742007298868,
-0.22876064653772743,
-6.092207632892776
],
[
-10.265628625008713,
-3.3150134794863213,
-13.236524949118381
],
[
-1.9360593149912868,
0.2732019505136781,
-11.23474649588162
],
[
-1.9366356649912868,
-0.273201950513678,
-2.570831420881618
],
[
-10.266204975008712,
-3.8614173805136778,
-4.572609874118382
],
[
-0.12733961235302999,
-1.7722753617447822,
-16.062979395569922
],
[
-12.07434832764697,
1.8159400682552176,
-8.408292049430075
],
[
-12.074924677646969,
-1.8159400682552174,
0.255623025569925
],
[
-0.12791596235303,
-5.404155498255218,
-7.399064320569925
],
[
-4.3926871622343695,
0.3031658458120532,
-0.836234882947996
],
[
-7.810153477765631,
-3.2850495124236385,
-6.307206412052004
],
[
-7.809577127765631,
-3.891381275812053,
-14.971121487052004
],
[
-4.392110812234369,
-0.3031659175763619,
-9.500149957947997
],
[
-0.12132633387812768,
-4.745482687564472,
-15.418675160056214
],
[
-12.080361606121873,
-1.1572672575644725,
-9.052596284943787
],
[
-12.080937956121872,
1.157267257564473,
-0.38868120994378685
],
[
-0.12190268387812768,
-2.430948172435527,
-6.754760085056213
],
[
-6.043603021907763,
-4.625011727424726,
-2.3582499924984504
],
[
-6.159237618092236,
-1.0367962974247271,
-4.785191302501549
],
[
-6.158661268092236,
1.036796297424727,
-13.44910637750155
],
[
-6.043026671907763,
-2.5514191325752726,
-11.02216506749845
],
[
-6.457302993359589,
-1.6993785047086112,
-1.7052115128920315
],
[
-5.74553764664041,
-5.28759400647292,
-5.438229782107968
],
[
-5.744961296640411,
-1.8888369252913888,
-14.10214485710797
],
[
-6.4567266433595885,
1.69937857647292,
-10.369126587892032
],
[
-7.561640266472966,
2.170958605249578,
-1.9724945928521649
],
[
-4.641200373527034,
-1.4172568965147307,
-5.170946702147835
],
[
-4.6406240235270335,
-5.759174035249578,
-13.834861777147838
],
[
-7.561063916472966,
-2.1709585334852686,
-10.636409667852163
],
[
-5.625697461286129,
-3.1257715359404363,
-1.7706058455014122
],
[
-6.57714317871387,
0.46244389405956365,
-5.372835449498588
],
[
-6.5765668287138705,
-0.46244389405956365,
-14.03675052449859
],
[
-5.625121111286129,
-4.050659324059564,
-10.434520920501411
],
[
-11.994781209417285,
0.4476309872392834,
-13.671846529453997
],
[
-0.2069067305827137,
-3.1405844427607166,
-10.799424915546004
],
[
-0.2074830805827137,
-4.035846417239283,
-2.135509840546004
],
[
-11.995357559417286,
-0.4476309872392834,
-5.007931454453997
],
[
-5.671626091321373,
-0.7259754245786199,
-0.6297818396891444
],
[
-6.5312145486786255,
-4.31419085457862,
-6.513659455310856
],
[
-6.530638198678625,
-2.8622400054213797,
-15.177574530310856
],
[
-5.671049741321373,
0.7259754245786203,
-9.293696914689145
],
[
-4.869504440489446,
-5.575229840611008,
-1.7252348319172868
],
[
-7.333336199510553,
-1.9870144106110068,
-5.418206463082713
],
[
-7.332759849510553,
1.9870144106110073,
-14.082121538082715
],
[
-4.868928090489446,
-1.6012010193889923,
-10.389149906917286
],
[
-1.5735128946914037,
-5.121665344454522,
-14.825702582898037
],
[
-10.628175045308597,
-1.5334499144545215,
-9.645568862101964
],
[
-10.628751395308596,
1.5334499144545222,
-0.9816537871019644
],
[
-1.5740892446914037,
-2.054765515545478,
-6.161787507898036
],
[
-11.054596336196028,
-1.87025323464003,
-13.125953277943404
],
[
-1.147091603803971,
-5.45846866464003,
-11.345318167056597
],
[
-1.147667953803971,
-1.7179621953599702,
-2.681403092056595
],
[
-11.055172686196029,
1.8702532346400298,
-4.462038202943405
],
[
-7.968842097148186,
-1.9123241993850768,
-1.1928358571930482
],
[
-4.233998542851813,
-5.500539629385077,
-5.950605437806951
],
[
-4.233422192851813,
-1.675891230614923,
-14.614520512806951
],
[
-7.968265747148186,
1.9123241993850766,
-9.85675093219305
],
[
-3.8413021989762495,
0.8224744862487021,
-16.746126151322706
],
[
-8.360385741023752,
-2.765740871986989,
-7.725145293677297
],
[
-8.360962091023751,
-4.410689916248701,
0.9387697813227031
],
[
-3.8418785489762493,
-0.8224745580130108,
-8.082211076322704
],
[
-5.76236656390464,
-4.553720309736246,
-3.9716541140933943
],
[
-6.4404740760953585,
-0.9655048797362467,
-3.1717871809066054
],
[
-6.439897726095358,
0.9655048797362465,
-11.835702255906606
],
[
-5.76179021390464,
-2.6227105502637533,
-12.635569189093395
],
[
-2.2348478693385765,
-0.33539738561572563,
-12.694869922762482
],
[
-9.966840070661423,
-3.9236128156157255,
-11.776401522237519
],
[
-9.967416420661422,
-3.2528180443842745,
-3.1124864472375195
],
[
-2.2354242193385763,
0.3353973856157257,
-4.030954847762481
],
[
-3.306486296589011,
-0.5657310340336565,
-1.7087237179400772
],
[
-8.896354343410989,
-4.153946464033655,
-5.434717577059923
],
[
-8.895777993410988,
-3.022484395966343,
-14.098632652059923
],
[
-3.3059099465890114,
0.5657310340336565,
-10.372638792940078
],
[
-12.166141197116467,
1.4689880189582691,
1.2062952680663932
],
[
-0.0366994428835335,
-2.1192274110417313,
-8.349736563066394
],
[
-0.036123092883533506,
-5.057203448958268,
-17.013651638066392
],
[
-12.165564847116466,
-1.4689880189582687,
-7.457619806933606
],
[
-1.5963078633435703,
-1.2190239256837399,
-15.72231408136013
],
[
-10.605380076656429,
2.3691915043162606,
-8.748957363639871
],
[
-10.60595642665643,
-2.3691915043162606,
-0.0850422886398714
],
[
-1.5968842133435703,
-5.957406934316261,
-7.058399006360129
],
[
-11.151501096516126,
2.85493848937149,
-14.157850796931621
],
[
-1.0501868434838737,
-0.73327694062851,
-10.313420648068378
],
[
-1.0507631934838737,
-6.44315391937149,
-1.649505573068379
],
[
-11.152077446516126,
-2.8549384893714893,
-5.493935721931621
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
|
[
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"U",
"U",
"U",
"U",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2019-01-12 00:52:27
|
[
0.08333333333333333,
0.625,
0.25,
0.041666666666666664
] |
[
[
0.3951699,
0,
-1.09595559
],
[
0,
-1.90538483,
0
],
[
-1.09595552,
0,
-2.76014339
]
] | -747.574718
|
[
0,
0,
0,
0,
0,
0,
0,
0,
2.012,
2.012,
2.012,
2.012,
0,
0,
0,
0,
-0.001,
-0.001,
-0.001,
-0.001,
0,
0,
0,
0,
0.001,
0.001,
0.001,
0.001,
-0.001,
-0.001,
-0.001,
-0.001,
0.001,
0.001,
0.001,
0.001,
-0.02,
-0.02,
-0.02,
-0.02,
0,
0,
0,
0,
-0.001,
-0.001,
-0.001,
-0.001,
0,
0,
0,
0,
-0.001,
-0.001,
-0.001,
-0.001,
-0.009,
-0.009,
-0.009,
-0.009,
0,
0,
0,
0,
-0.01,
-0.01,
-0.01,
-0.01,
-0.012,
-0.012,
-0.012,
-0.011,
-0.001,
-0.001,
-0.001,
-0.001,
-0.011,
-0.011,
-0.011,
-0.011,
0,
0,
0,
0,
-0.001,
-0.001,
-0.001,
-0.001,
-0.02,
-0.02,
-0.02,
-0.02,
0,
0,
0,
0
] |
[
[
0.03559434,
-0.0034822,
-0.02298921
],
[
-0.03559434,
-0.0034822,
0.02298921
],
[
-0.03559434,
0.0034822,
0.02298921
],
[
0.03559434,
0.0034822,
-0.02298921
],
[
0.02766417,
0.01068315,
-0.02010215
],
[
-0.02766417,
0.01068315,
0.02010215
],
[
-0.02766417,
-0.01068315,
0.02010215
],
[
0.02766417,
-0.01068315,
-0.02010215
],
[
-0.02482373,
0.0049594,
-0.02283974
],
[
0.02482373,
0.0049594,
0.02283974
],
[
0.02482373,
-0.0049594,
0.02283974
],
[
-0.02482373,
-0.0049594,
-0.02283974
],
[
-0.04919118,
-0.0356671,
0.05022781
],
[
0.04919118,
-0.0356671,
-0.05022781
],
[
0.04919118,
0.0356671,
-0.05022781
],
[
-0.04919118,
0.0356671,
0.05022781
],
[
0.11959403,
-0.05672697,
-0.00153399
],
[
-0.11959403,
-0.05672697,
0.00153399
],
[
-0.11959403,
0.05672697,
0.00153399
],
[
0.11959403,
0.05672697,
-0.00153399
],
[
0.01377837,
0.03863645,
-0.00378984
],
[
-0.01377837,
0.03863645,
0.00378984
],
[
-0.01377837,
-0.03863645,
0.00378984
],
[
0.01377837,
-0.03863645,
-0.00378984
],
[
0.09101816,
0.0759569,
-0.07035482
],
[
-0.09101816,
0.0759569,
0.07035482
],
[
-0.09101816,
-0.0759569,
0.07035482
],
[
0.09101816,
-0.0759569,
-0.07035482
],
[
0.06407566,
0.01991506,
0.02839493
],
[
-0.06407566,
0.01991506,
-0.02839493
],
[
-0.06407566,
-0.01991506,
-0.02839493
],
[
0.06407566,
-0.01991506,
0.02839493
],
[
0.08510302,
0.01839567,
-0.05297749
],
[
-0.08510302,
0.01839567,
0.05297749
],
[
-0.08510302,
-0.01839567,
0.05297749
],
[
0.08510302,
-0.01839567,
-0.05297749
],
[
0.00461034,
-0.00605984,
-0.01525056
],
[
-0.00461034,
-0.00605984,
0.01525056
],
[
-0.00461034,
0.00605984,
0.01525056
],
[
0.00461034,
0.00605984,
-0.01525056
],
[
0.01170825,
0.06831037,
0.01869256
],
[
-0.01170825,
0.06831037,
-0.01869256
],
[
-0.01170825,
-0.06831037,
-0.01869256
],
[
0.01170825,
-0.06831037,
0.01869256
],
[
-0.0937363,
-0.05677328,
0.03800294
],
[
0.0937363,
-0.05677328,
-0.03800294
],
[
0.0937363,
0.05677328,
-0.03800294
],
[
-0.0937363,
0.05677328,
0.03800294
],
[
-0.05299082,
-0.02724539,
0.0217661
],
[
0.05299082,
-0.02724539,
-0.0217661
],
[
0.05299082,
0.02724539,
-0.0217661
],
[
-0.05299082,
0.02724539,
0.0217661
],
[
0.01135841,
-0.07024491,
0.07613974
],
[
-0.01135841,
-0.07024491,
-0.07613974
],
[
-0.01135841,
0.07024491,
-0.07613974
],
[
0.01135841,
0.07024491,
0.07613974
],
[
-0.0601712,
-0.01006892,
0.00860795
],
[
0.0601712,
-0.01006892,
-0.00860795
],
[
0.0601712,
0.01006892,
-0.00860795
],
[
-0.0601712,
0.01006892,
0.00860795
],
[
0.00220835,
0.01049414,
0.04015513
],
[
-0.00220835,
0.01049414,
-0.04015513
],
[
-0.00220835,
-0.01049414,
-0.04015513
],
[
0.00220835,
-0.01049414,
0.04015513
],
[
-0.0083108,
0.03892084,
-0.00702393
],
[
0.0083108,
0.03892084,
0.00702393
],
[
0.0083108,
-0.03892084,
0.00702393
],
[
-0.0083108,
-0.03892084,
-0.00702393
],
[
-0.04253253,
-0.00505778,
-0.04035303
],
[
0.04253253,
-0.00505778,
0.04035303
],
[
0.04253253,
0.00505778,
0.04035303
],
[
-0.04253253,
0.00505778,
-0.04035303
],
[
-0.01191167,
-0.02502652,
-0.07197159
],
[
0.01191167,
-0.02502652,
0.07197159
],
[
0.01191167,
0.02502652,
0.07197159
],
[
-0.01191167,
0.02502652,
-0.07197159
],
[
0.00421124,
-0.01038868,
0.02136779
],
[
-0.00421124,
-0.01038868,
-0.02136779
],
[
-0.00421124,
0.01038868,
-0.02136779
],
[
0.00421124,
0.01038868,
0.02136779
],
[
-0.08689856,
-0.03233339,
0.01085305
],
[
0.08689856,
-0.03233339,
-0.01085305
],
[
0.08689856,
0.03233339,
-0.01085305
],
[
-0.08689856,
0.03233339,
0.01085305
],
[
-0.04433777,
0.00232851,
-0.0612634
],
[
0.04433777,
0.00232851,
0.0612634
],
[
0.04433777,
-0.00232851,
0.0612634
],
[
-0.04433777,
-0.00232851,
-0.0612634
],
[
-0.09183807,
0.03858646,
0.03215666
],
[
0.09183807,
0.03858646,
-0.03215666
],
[
0.09183807,
-0.03858646,
-0.03215666
],
[
-0.09183807,
-0.03858646,
0.03215666
],
[
0.07004017,
0.05291642,
0.05489858
],
[
-0.07004017,
0.05291642,
-0.05489858
],
[
-0.07004017,
-0.05291642,
-0.05489858
],
[
0.07004017,
-0.05291642,
0.05489858
]
] | 7.705
| 4.598921
|
pbe
| true
|
0c1cdc91387a4ccf29a9358c623d95f7_15_K8U4Si24O60
|
[
"As",
"Pb"
] | 4
|
AB
|
AsPb
|
As2 Pb2
| 2
|
[
1,
1,
1
] | 3
|
[
[
3.60626521,
0,
0
],
[
-1.80313261,
3.12311729,
0
],
[
0,
0,
10.3128285
]
] |
agm003162529
|
[
[
0,
0,
5.121488515617045
],
[
1.8031326213646595,
1.0410390862562757,
7.7695471093829545
],
[
0,
0,
0.58613270164605
],
[
1.8031326213646595,
1.0410390862562757,
1.99207442335395
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Pb",
"Pb",
"As",
"As"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
3.0888085,
0,
0
],
[
0,
3.0888085,
0
],
[
0,
0,
2.8904467
]
] | -16.541589
|
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00032935
],
[
0,
0,
0.00032935
],
[
0,
0,
-0.0017816
],
[
0,
0,
0.0017816
]
] | -0.000001
| 1.096587
|
pbe
| true
|
55c2dc4e858466515d534b03f7b9b846_164_As2Pb2
|
[
"As",
"Pb"
] | 4
|
AB
|
AsPb
|
As2 Pb2
| 2
|
[
1,
1,
1
] | 3
|
[
[
9.2255407,
-0.14332964,
-0.08476551
],
[
8.52289406,
3.53432051,
-0.08476551
],
[
8.52289406,
1.6283721,
3.13799473
]
] |
agm003162530
|
[
[
13.330637602264206,
2.5469327876691144,
1.5062623677930391
],
[
19.508523422735795,
3.727270924830886,
2.204317269706961
],
[
25.85621712959491,
4.9400523168728085,
2.9215591930261127
],
[
6.982943895405091,
1.3341513956271918,
0.7890204444738873
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Pb",
"Pb",
"As",
"As"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
3.1699054,
0.04929018,
0.02915033
],
[
0.04929018,
2.921338,
0.00556942
],
[
0.02915033,
0.00556942,
2.9152145
]
] | -16.470331
|
[
0,
0,
0,
0
] |
[
[
-0.00102912,
-0.00019662,
-0.00011628
],
[
0.00102912,
0.00019662,
0.00011628
],
[
0.00052783,
0.00010085,
0.00005964
],
[
-0.00052783,
-0.00010085,
-0.00005964
]
] | -0.000108
| 1.762994
|
pbe
| true
|
55c2dc4e858466515d534b03f7b9b846_166_As2Pb2
|
[
"K",
"O",
"Sm",
"Te"
] | 20
|
A12B4C3D
|
KO12Sm3Te4
|
K1 Sm3 Te4 O12
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.87187547,
-0.32394088,
-0.45004234
],
[
-2.21107325,
7.5619122,
-0.45004234
],
[
-2.21107325,
-2.82710545,
7.02798186
]
] |
agm004707677
|
[
[
0,
0,
0
],
[
3.4056147818503555,
3.169112251755667,
-0.45004234
],
[
2.2551874381496444,
-1.718324097895691,
3.715577281045472
],
[
-2.21107325,
2.9600777161400242,
2.862362238954528
],
[
6.228133527302045,
-1.3165643530419684,
3.06394859
],
[
-2.778404557302046,
1.0874639926896092,
6.403800434197966
],
[
1.724864485,
6.84539916535236,
-0.27590325419796596
],
[
1.724864485,
2.205432935,
3.06394859
],
[
1.724864485,
0.5390222448991729,
4.263432495748556
],
[
5.637547089344716,
3.176784544616341,
0.16210548688355203
],
[
-2.187818119344717,
5.265533806616276,
3.06394859
],
[
1.7248644850000001,
-1.8260195462326159,
5.965791693116447
],
[
0.3044949286106302,
6.273913966012752,
0.9627930917537734
],
[
-1.1200871858099568,
0.035668194109404285,
6.255063280148271
],
[
6.0157133271071395,
0.3393565671205985,
2.0193351631612653
],
[
3.1452340413893696,
5.489360364473277,
-0.12716610014827134
],
[
-2.56598435710714,
2.6036838540369125,
5.165104088246227
],
[
4.569816155809956,
-1.5093853357529434,
4.108562016838734
],
[
3.3421813575674895,
2.606943485762193,
1.864464684251444
],
[
0.10754761243251032,
3.470333074338635,
3.06394859
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"K",
"Sm",
"Sm",
"Sm",
"Te",
"Te",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.05,
0.6,
0.15,
0.2
] |
[
[
0.5834441,
0.0393083,
0.05460996
],
[
0.0393083,
0.60296124,
0.06982496
],
[
0.05460996,
0.06982496,
0.6497071
]
] | -121.364646
|
[
0.002,
0.004,
0.004,
0.004,
-0.007,
-0.007,
-0.007,
0.324,
0.093,
0.001,
0.001,
0.001,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.093,
0.093
] |
[
[
0,
0,
0
],
[
-0.0030143,
0.00235748,
0
],
[
0.0030143,
0.00074832,
-0.00223556
],
[
0,
-0.0031058,
0.00223556
],
[
0.00089381,
-0.00069905,
0
],
[
-0.00089381,
-0.0002219,
0.0006629
],
[
0,
0.00092094,
-0.0006629
],
[
0,
0,
0
],
[
0,
-0.00225401,
0.00162244
],
[
0.00155594,
0.00038627,
-0.00115396
],
[
-0.00155594,
0.0012169,
0
],
[
0,
-0.00160317,
0.00115396
],
[
0.00051315,
0.0052676,
-0.00038037
],
[
-0.00209652,
0.00000825,
0.00487444
],
[
0.00498877,
-0.00092166,
0.00155509
],
[
-0.00051315,
0.00203277,
-0.00487444
],
[
-0.00498877,
-0.00176723,
0.00038037
],
[
0.00209652,
-0.00461973,
-0.00155509
],
[
0.0021876,
0.00054309,
-0.00162244
],
[
-0.0021876,
0.00171092,
0
]
] | 0.937589
| 4.435021
|
pbe
| true
|
caf9520bf35e5874d3c3da09473da7b8_155_K1Sm3Te4O12
|
[
"K",
"O",
"Sm",
"W"
] | 48
|
A8B2CD
|
KO8SmW2
|
K4 O32 Sm4 W8
| 4
|
[
1,
1,
1
] | 3
|
[
[
-5.26166296,
0,
0
],
[
0,
0,
-8.26662001
],
[
0,
-18.67189389,
0
]
] |
mp-1211622
|
[
[
0,
-4.294942081829985,
-6.1999650075
],
[
0,
-14.376951808170015,
-2.0666550025
],
[
-2.63083148,
-5.041004863170015,
-2.0666550025
],
[
-2.63083148,
-13.630889026829985,
-6.1999650075
],
[
0,
-18.54607912130934,
-6.1999650075
],
[
0,
-0.1258147686906591,
-2.0666550025
],
[
-2.63083148,
-9.461761713690658,
-2.0666550025
],
[
-2.63083148,
-9.210132176309342,
-6.1999650075
],
[
-5.143277490215295,
-11.216952975321783,
-8.1251773149669
],
[
-0.1183854697847048,
-7.454940914678216,
-0.141442695033101
],
[
-2.7492169497847048,
-16.790887859678215,
-3.991867309966899
],
[
-0.1183854697847048,
-11.216952975321783,
-4.274752700033101
],
[
-2.512446010215295,
-1.8810060303217833,
-4.274752700033101
],
[
-5.143277490215295,
-7.454940914678216,
-3.991867309966899
],
[
-2.512446010215295,
-16.790887859678215,
-0.141442695033101
],
[
-2.7492169497847048,
-1.8810060303217833,
-8.1251773149669
],
[
-4.727895086905058,
-12.86546293136921,
-4.334358832950406
],
[
-0.5337678730949416,
-5.8064309586307905,
-3.9322611770495945
],
[
-3.1645993530949412,
-15.14237790363079,
-0.20104882795040563
],
[
-0.5337678730949416,
-12.86546293136921,
-8.065571182049595
],
[
-2.0970636069050586,
-3.529515986369209,
-8.065571182049595
],
[
-4.727895086905058,
-5.8064309586307905,
-0.20104882795040563
],
[
-2.0970636069050586,
-15.14237790363079,
-3.9322611770495945
],
[
-3.1645993530949412,
-3.529515986369209,
-4.334358832950406
],
[
-3.8263250815478274,
-16.82318594157232,
-5.456419985389146
],
[
-1.4353378784521726,
-1.848707948427678,
-2.810200024610855
],
[
-4.066169358452172,
-11.184654893427679,
-1.3231099803891453
],
[
-1.4353378784521726,
-16.82318594157232,
-6.943510029610855
],
[
-1.195493601547827,
-7.487238996572322,
-6.943510029610855
],
[
-3.8263250815478274,
-1.848707948427678,
-1.3231099803891453
],
[
-1.195493601547827,
-11.184654893427679,
-2.810200024610855
],
[
-4.066169358452172,
-7.487238996572322,
-5.456419985389146
],
[
-3.927754158427747,
-18.023986267336678,
-8.233272878210661
],
[
-1.3339088015722527,
-0.6479076226633218,
-0.0333471317893395
],
[
-3.9647402815722526,
-9.983854567663322,
-4.099962873210661
],
[
-1.3339088015722527,
-18.023986267336678,
-4.16665713678934
],
[
-1.2969226784277472,
-8.688039322336678,
-4.16665713678934
],
[
-3.927754158427747,
-0.6479076226633218,
-4.099962873210661
],
[
-1.2969226784277472,
-9.983854567663322,
-0.0333471317893395
],
[
-3.9647402815722526,
-8.688039322336678,
-8.233272878210661
],
[
-3.989214433281026,
-11.066004343703673,
-6.696915845384353
],
[
-1.2724485267189736,
-7.605889546296327,
-1.5697041646156464
],
[
-3.9032800067189735,
-16.94183649129633,
-2.563605840384354
],
[
-1.2724485267189736,
-11.066004343703673,
-5.703014169615647
],
[
-1.3583829532810263,
-1.730057398703673,
-5.703014169615647
],
[
-3.989214433281026,
-7.605889546296327,
-2.563605840384354
],
[
-1.3583829532810263,
-16.94183649129633,
-1.5697041646156464
],
[
-3.9032800067189735,
-1.730057398703673,
-6.696915845384353
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"K",
"K",
"K",
"K",
"Sm",
"Sm",
"Sm",
"Sm",
"W",
"W",
"W",
"W",
"W",
"W",
"W",
"W",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2019-01-12 13:57:18
|
[
0.08333333333333333,
0.6666666666666666,
0.08333333333333333,
0.16666666666666666
] |
[
[
0.08434333,
0,
0
],
[
0,
3.45125444,
0
],
[
0,
0,
-2.87452901
]
] | -353.455229
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0.02701276,
0
],
[
0,
-0.02701276,
0
],
[
0,
-0.02701276,
0
],
[
0,
0.02701276,
0
],
[
0,
0.03557858,
0
],
[
0,
-0.03557858,
0
],
[
0,
-0.03557858,
0
],
[
0,
0.03557858,
0
],
[
-0.04353153,
0.03312705,
0.02181699
],
[
0.04353153,
-0.03312705,
-0.02181699
],
[
0.04353153,
-0.03312705,
0.02181699
],
[
0.04353153,
0.03312705,
-0.02181699
],
[
-0.04353153,
0.03312705,
-0.02181699
],
[
-0.04353153,
-0.03312705,
0.02181699
],
[
-0.04353153,
-0.03312705,
-0.02181699
],
[
0.04353153,
0.03312705,
0.02181699
],
[
0.0376343,
-0.0682009,
0.07385573
],
[
-0.0376343,
0.0682009,
-0.07385573
],
[
-0.0376343,
0.0682009,
0.07385573
],
[
-0.0376343,
-0.0682009,
-0.07385573
],
[
0.0376343,
-0.0682009,
-0.07385573
],
[
0.0376343,
0.0682009,
0.07385573
],
[
0.0376343,
0.0682009,
-0.07385573
],
[
-0.0376343,
-0.0682009,
0.07385573
],
[
0.00370238,
0.05588213,
0.02146555
],
[
-0.00370238,
-0.05588213,
-0.02146555
],
[
-0.00370238,
-0.05588213,
0.02146555
],
[
-0.00370238,
0.05588213,
-0.02146555
],
[
0.00370238,
0.05588213,
-0.02146555
],
[
0.00370238,
-0.05588213,
0.02146555
],
[
0.00370238,
-0.05588213,
-0.02146555
],
[
-0.00370238,
0.05588213,
0.02146555
],
[
0.0009347,
-0.01306036,
0.01875274
],
[
-0.0009347,
0.01306036,
-0.01875274
],
[
-0.0009347,
0.01306036,
0.01875274
],
[
-0.0009347,
-0.01306036,
-0.01875274
],
[
0.0009347,
-0.01306036,
-0.01875274
],
[
0.0009347,
0.01306036,
0.01875274
],
[
0.0009347,
0.01306036,
-0.01875274
],
[
-0.0009347,
-0.01306036,
0.01875274
],
[
-0.07746375,
-0.01851156,
0.0926835
],
[
0.07746375,
0.01851156,
-0.0926835
],
[
0.07746375,
0.01851156,
0.0926835
],
[
0.07746375,
-0.01851156,
-0.0926835
],
[
-0.07746375,
-0.01851156,
-0.0926835
],
[
-0.07746375,
0.01851156,
0.0926835
],
[
-0.07746375,
0.01851156,
-0.0926835
],
[
0.07746375,
-0.01851156,
0.0926835
]
] | 0
| -0.509907
|
pbe
| true
|
0e42f956b368c4c31760cb438c3deb6e_60_K4Sm4W8O32
|
[
"K",
"O",
"Sr",
"V"
] | 28
|
A4BCD
|
KO4SrV
|
K4 Sr4 V4 O16
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.93800805,
0,
0
],
[
0,
7.56137859,
0
],
[
0,
0,
10.08673267
]
] |
agm003236772
|
[
[
2.8558053429595494,
0.674222420183094,
5.806956105410081
],
[
3.0822027070404503,
4.454911715183094,
9.323142899589918
],
[
0.11319868204045049,
6.887156169816906,
0.7635897704100812
],
[
5.824809367959549,
3.106466874816906,
4.279776564589919
],
[
5.816431610542046,
1.9026808854420134,
8.075410537954484
],
[
2.8474275855420457,
1.878008409557987,
2.0113221320455157
],
[
3.0905804644579535,
5.658697704557987,
3.032044202954484
],
[
0.121576439457954,
5.683370180442013,
7.054688467045516
],
[
2.8632067137133914,
3.9773897878196856,
5.900476962104539
],
[
0.1057973112866085,
3.5839888021803143,
0.8571106271045402
],
[
5.832210738713391,
7.364678097180315,
4.18625570789546
],
[
3.0748013362866087,
0.1967004928196856,
9.22962204289546
],
[
3.01091454519698,
7.001183573684968,
0.7192476866541476
],
[
1.4617426371057183,
4.193854211997913,
1.767804499835288
],
[
1.5072613878942815,
3.367524378002087,
6.811170834835289
],
[
0.44415540148969596,
1.909093312555263,
0.6024998080384997
],
[
4.430746662105718,
7.148213673002087,
8.318928170164712
],
[
3.413159426489696,
1.8715959824447372,
9.4842328619615
],
[
4.54554629049653,
3.8586058987495844,
1.729118854026037
],
[
1.5765422654965295,
7.483461986250416,
8.357613815973963
],
[
5.896097529803019,
0.5601950163150324,
5.762614021654148
],
[
4.476265412894281,
0.4131649169979132,
3.275561835164712
],
[
0.041910520196980494,
4.340884311315032,
9.367484983345852
],
[
2.927093504803019,
3.2204942786849675,
4.324118648345852
],
[
1.3924617595034705,
0.0779166037495845,
3.314247480973963
],
[
2.524848623510304,
5.652285277444737,
5.6458661430385
],
[
4.36146578450347,
3.7027726912504155,
6.772485189026036
],
[
5.493852648510304,
5.689782607555263,
4.4408665269615
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"K",
"K",
"K",
"K",
"Sr",
"Sr",
"Sr",
"Sr",
"V",
"V",
"V",
"V",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.5714285714285714,
0.14285714285714285,
0.14285714285714285
] |
[
[
0.5850664,
0,
0
],
[
0,
0.6163344,
0
],
[
0,
0,
0.65888464
]
] | -187.254992
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00107784,
-0.00099874,
-0.00204975
],
[
-0.00107784,
-0.00099874,
0.00204975
],
[
-0.00107784,
0.00099874,
-0.00204975
],
[
0.00107784,
0.00099874,
0.00204975
],
[
-0.00049336,
-0.00058734,
0.0002022
],
[
-0.00049336,
0.00058734,
-0.0002022
],
[
0.00049336,
0.00058734,
0.0002022
],
[
0.00049336,
-0.00058734,
-0.0002022
],
[
0.00180407,
-0.00200027,
0.00154635
],
[
-0.00180407,
0.00200027,
0.00154635
],
[
0.00180407,
0.00200027,
-0.00154635
],
[
-0.00180407,
-0.00200027,
-0.00154635
],
[
-0.00159631,
-0.0011632,
0.00077023
],
[
-0.00334917,
-0.00259958,
0.00051263
],
[
0.00334917,
0.00259958,
0.00051263
],
[
-0.00141811,
0.00052883,
-0.00047562
],
[
-0.00334917,
0.00259958,
-0.00051263
],
[
-0.00141811,
-0.00052883,
0.00047562
],
[
0.00124597,
0.00059192,
-0.00293665
],
[
0.00124597,
-0.00059192,
0.00293665
],
[
0.00159631,
0.0011632,
0.00077023
],
[
0.00334917,
-0.00259958,
-0.00051263
],
[
-0.00159631,
0.0011632,
-0.00077023
],
[
0.00159631,
-0.0011632,
-0.00077023
],
[
-0.00124597,
0.00059192,
0.00293665
],
[
0.00141811,
-0.00052883,
-0.00047562
],
[
-0.00124597,
-0.00059192,
-0.00293665
],
[
0.00141811,
0.00052883,
0.00047562
]
] | -0.000002
| 0
|
pbe
| true
|
198a774e4742b64c2de75ad41002de76_19_K4Sr4V4O16
|
[
"Au",
"Ni"
] | 5
|
A4B
|
Au4Ni
|
Ni1 Au4
| 2
|
[
1,
1,
1
] | 3
|
[
[
-1.87237782,
1.87237782,
7.0091025
],
[
1.87237782,
-1.87237782,
7.0091025
],
[
1.87237782,
1.87237782,
-7.0091025
]
] |
agm005407894
|
[
[
0,
0,
0
],
[
1.1102230246251565e-16,
1.87237782,
3.50455125
],
[
-1.8889184290421214e-17,
1.8889184290421214e-17,
5.7007256723454
],
[
-8.504866403765164e-17,
8.504866403765164e-17,
8.317479327654599
],
[
1.87237782,
0,
3.50455125
]
] |
[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Ni",
"Au",
"Au",
"Au",
"Au"
] |
2023-11-16 06:57:59
|
[
0.8,
0.2
] |
[
[
-2.4348183,
0,
0
],
[
0,
-2.4348183,
0
],
[
0,
0,
-2.0148115
]
] | -16.73605
|
[
0.767,
0.005,
0.017,
0.017,
0.005
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00059285
],
[
0,
0,
-0.00059285
],
[
0,
0,
0
]
] | 0.80029
| 7.214212
|
pbe
| true
|
08061e5933908f7bfc05d5b7d873bbba_139_Ni1Au4
|
[
"Cd",
"Hg",
"Mo"
] | 4
|
A2BC
|
Cd2HgMo
|
Cd2 Hg1 Mo1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.92466018,
0,
0
],
[
0,
4.39291592,
0
],
[
0,
0,
6.13500057
]
] |
agm004181760
|
[
[
0,
0,
6.052201620707189
],
[
1.46233009,
2.19645796,
1.510613582950393
],
[
0,
0,
3.167684598908077
],
[
1.46233009,
2.19645796,
4.607001561084335
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}]
|
[
"Cd",
"Cd",
"Hg",
"Mo"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
6.69534,
0,
0
],
[
0,
6.534879,
0
],
[
0,
0,
6.6135855
]
] | -11.094311
|
[
0,
-0.005,
0.002,
0.325
] |
[
[
0,
0,
0.0001115
],
[
0,
0,
-0.00038198
],
[
0,
0,
0.00166721
],
[
0,
0,
-0.00139673
]
] | 0.364634
| 3.045603
|
pbe
| true
|
2e20e8b1e5432a7f241d1edf5bdf063d_25_Cd2Hg1Mo1
|
[
"K",
"O",
"Te",
"Ti"
] | 20
|
A6B2CD
|
KO6TeTi2
|
K2 Ti4 Te2 O12
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.23775836,
-0.07792921,
-0.08087293
],
[
1.92573622,
7.50776217,
0.13278835
],
[
1.92573622,
-0.14555024,
7.5075256
]
] |
agm004974745
|
[
[
3.4851758100000003,
6.6592060242320885,
0.91146625911831
],
[
6.60405499,
0.6250766957679117,
6.64797476088169
],
[
4.631533702823226,
6.085567174784384,
4.933686298858073
],
[
2.338817917176774,
2.618489474164707,
1.3356423452022588
],
[
5.457697097176773,
1.1987155452156166,
2.6257547211419263
],
[
7.750412882823226,
4.665793245835292,
6.223798674797742
],
[
3.48517581,
2.1322388244737254,
5.273655053863485
],
[
6.60405499,
5.152043895526275,
2.285785966136515
],
[
2.7547502049927775,
0.2229502209507578,
5.611658699325928
],
[
4.215601415007223,
1.7237066876027454,
7.169105112795925
],
[
7.334480595007222,
7.061332499049243,
1.9477823206740719
],
[
5.873629384992778,
5.560576032397255,
0.39033590720407574
],
[
4.938208665161665,
6.159522464468509,
3.153550387674171
],
[
2.0321429548383354,
4.400143300778084,
1.3277119998044862
],
[
5.151022134838335,
1.1247602555314913,
4.4058906323258284
],
[
8.057087845161666,
2.8841394192219156,
6.231729020195514
],
[
2.911306722259027,
5.467431046168214,
5.344289090232876
],
[
4.059044897740973,
2.1852598464351582,
1.9381363400720937
],
[
7.177924077740973,
1.8168516738317877,
2.2151519297671234
],
[
6.030185902259027,
5.0990228735648415,
5.621304679927907
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"K",
"K",
"Ti",
"Ti",
"Ti",
"Ti",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1,
0.6,
0.1,
0.2
] |
[
[
0.48291615,
0.01583208,
0.01643013
],
[
0.01583204,
0.4794104,
0.0313667
],
[
0.01643008,
0.0313667,
0.481737
]
] | -143.869809
|
[
0.001,
0.001,
0.075,
0.075,
0.075,
0.075,
0.34,
0.34,
0.053,
0.053,
0.053,
0.053,
0.016,
0.016,
0.016,
0.016,
0.01,
0.01,
0.01,
0.01
] |
[
[
0,
-0.00205035,
0.00197572
],
[
0,
0.00205035,
-0.00197572
],
[
-0.00090119,
-0.0006321,
0.00003884
],
[
0.00090119,
-0.00006224,
0.00063023
],
[
0.00090119,
0.0006321,
-0.00003884
],
[
-0.00090119,
0.00006224,
-0.00063023
],
[
0,
0.00247272,
-0.00238271
],
[
0,
-0.00247272,
0.00238271
],
[
-0.00381228,
-0.00328442,
-0.00389749
],
[
0.00381228,
0.00377309,
0.00342661
],
[
0.00381228,
0.00328442,
0.00389749
],
[
-0.00381228,
-0.00377309,
-0.00342661
],
[
0.00059565,
-0.00151563,
0.00434452
],
[
-0.00059565,
-0.00439771,
0.00135358
],
[
-0.00059565,
0.00151563,
-0.00434452
],
[
0.00059565,
0.00439771,
-0.00135358
],
[
0.00037605,
-0.00237166,
0.00337921
],
[
-0.00037605,
-0.00346479,
0.00224479
],
[
-0.00037605,
0.00237166,
-0.00337921
],
[
0.00037605,
0.00346479,
-0.00224479
]
] | 2.039589
| 0.850956
|
pbe
| true
|
a707ff1db0a8e90ee2765b68e3b6dc10_15_K2Ti4Te2O12
|
[
"K",
"O",
"Te",
"U"
] | 32
|
A21B5C4D2
|
K4O21Te2U5
|
K4 O21 Te2 U5
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.09389627,
0.04318361,
-0.55300816
],
[
-1.36199183,
6.94886038,
-1.23140056
],
[
-0.1899941,
-0.064041,
11.5540951
]
] |
mp-556212
|
[
[
3.5770694564866,
2.0444699960002426,
0.3085642962904226
],
[
1.7864942070963215,
1.0799779739287794,
8.10160763741618
],
[
1.9648408835134001,
4.883532993999757,
9.461122083709578
],
[
3.755416132903679,
5.848025016071221,
1.668078742583819
],
[
4.190713404907824,
6.070825850001926,
6.404221913237168
],
[
1.3511969350921758,
0.8571771399980738,
3.3654644667628317
],
[
0.0768620713288448,
3.951316248624245,
1.3098700501589784
],
[
5.465048268671155,
2.9766867413757554,
8.459816329841022
],
[
0,
0,
0
],
[
4.287059306003148,
2.1830725866525134,
5.182043537704365
],
[
1.2548510339968515,
4.744930403347486,
4.587642842295635
],
[
-0.61394814168847,
6.083658735051317,
0.7405493693450849
],
[
3.9952871699472676,
6.906821732899729,
-1.0893222456269946
],
[
2.506149460687415,
1.5967474878630072,
5.376306812210658
],
[
-1.254125693843329,
6.01185309339243,
6.126899406611634
],
[
6.15585848168847,
0.8443442549486828,
9.029137010654916
],
[
0.02898466268668349,
3.229091573284272,
8.212885262330396
],
[
1.7835530087014178,
4.266694065148292,
0.586512804052938
],
[
0.535534426488551,
1.705300949596624,
1.38318052674176
],
[
1.5466231700527324,
0.021181257100270693,
10.859008625626995
],
[
5.512925677313317,
3.6989114167157284,
1.5568011176696028
],
[
0.487352747369579,
5.7358206780390235,
3.1629812972820783
],
[
5.05455759263042,
1.1921823119609771,
6.606705082717922
],
[
4.224418983342713,
3.667471391708901,
6.375601149016967
],
[
2.4608664861989626,
6.051838040165015,
7.090395379574407
],
[
3.0357608793125843,
5.331255502136992,
4.393379567789341
],
[
-0.680995915,
3.47443019,
-0.61570028
],
[
6.796036033843328,
0.9161498966075707,
3.642786973388366
],
[
5.006375913511449,
5.222702040403376,
8.38650585325824
],
[
3.081043853801038,
0.8761649498349844,
2.679291000425592
],
[
3.7583573312985816,
2.661308924851708,
9.183173575947063
],
[
1.3174913566572874,
3.2605315982910996,
3.394085230983032
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
|
[
"K",
"K",
"K",
"K",
"U",
"U",
"U",
"U",
"U",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2014-02-22 13:11:54
|
[
0.125,
0.65625,
0.0625,
0.15625
] |
[] | -253.522683
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[] | 0
| 2.019961
|
pbe
| true
|
cf768079644c4e8ca71b6b6b0eb7606a_2_K4U5Te2O21
|
[
"Cd",
"Hg",
"Mo"
] | 4
|
A2BC
|
CdHgMo2
|
Cd1 Hg1 Mo2
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.29464298,
3.29464298
],
[
3.29464298,
0,
3.29464298
],
[
3.29464298,
3.29464298,
0
]
] |
agm002702731
|
[
[
1.64732149,
1.64732149,
1.64732149
],
[
4.94196447,
4.94196447,
4.94196447
],
[
3.29464298,
3.29464298,
3.29464298
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}]
|
[
"Mo",
"Mo",
"Hg",
"Cd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
5.879749,
0,
0
],
[
0,
5.879749,
0
],
[
0,
0,
5.879749
]
] | -19.491009
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000012
| 5.956176
|
pbe
| true
|
06ccd6cf1698b8fa7406cab202aa498a_225_Cd1Hg1Mo2
|
[
"K",
"O",
"Ti",
"Zn"
] | 20
|
A6B2CD
|
KO6Ti2Zn
|
K2 Ti4 Zn2 O12
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.32561703,
-0.08040719,
-0.08344451
],
[
1.94234166,
7.22938373,
-0.95172337
],
[
1.94234166,
-1.21899983,
7.189145
]
] |
agm004974790
|
[
[
3.5237459175,
6.319954726608382,
-0.11562817329831475
],
[
6.6865544325,
-0.3899780166083823,
6.269605293298315
],
[
4.6248677885562754,
4.490021549414203,
3.3588991064075993
],
[
2.4226240464437248,
2.779994777302199,
1.5842773593013741
],
[
5.585432561443725,
1.439955160585798,
2.7950780135924007
],
[
7.7876763035562755,
3.149981932697801,
4.569699760698626
],
[
3.5237459175,
0.48591940402627365,
5.506052387222002
],
[
6.6865544325,
5.444057305973726,
0.6479247327779971
],
[
4.698063658669355,
5.897259875445185,
4.481796877164957
],
[
2.3494281763306457,
1.710022512725593,
0.13638977333628813
],
[
5.512236691330646,
0.032716834554815326,
1.6721802428350432
],
[
7.860872173669354,
4.219954197274407,
6.017587346663712
],
[
5.168345905653832,
5.248247226885758,
1.8175268740772015
],
[
1.8791459293461672,
4.348408902370268,
0.8836978333621842
],
[
5.041954444346167,
0.6817294831142424,
4.336450245922798
],
[
8.331154420653833,
1.5815678076297317,
5.270279286637816
],
[
2.753774861762108,
4.0303295229800655,
3.5399886964300746
],
[
4.293716973237893,
2.581992816165675,
2.036942160580844
],
[
7.456525488237892,
1.8996471870199338,
2.613988423569926
],
[
5.916583376762108,
3.347983893834326,
4.117034959419155
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"K",
"K",
"Ti",
"Ti",
"Ti",
"Ti",
"Zn",
"Zn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1,
0.6,
0.2,
0.1
] |
[
[
0.59917855,
0.03413182,
0.03542112
],
[
0.03413195,
0.78547156,
0.01763627
],
[
0.03542126,
0.01763627,
0.7867797
]
] | -141.432365
|
[
0.001,
0.001,
-0.053,
-0.053,
-0.053,
-0.053,
0.047,
0.047,
0.168,
0.168,
0.168,
0.168,
0.199,
0.199,
0.199,
0.199,
0.092,
0.092,
0.092,
0.092
] |
[
[
0,
0.00075373,
-0.0007263
],
[
0,
-0.00075373,
0.0007263
],
[
-0.001203,
-0.00286307,
-0.00221212
],
[
0.001203,
0.0021045,
0.00294309
],
[
0.001203,
0.00286307,
0.00221212
],
[
-0.001203,
-0.0021045,
-0.00294309
],
[
0,
-0.00116356,
0.00112121
],
[
0,
0.00116356,
-0.00112121
],
[
-0.00154225,
0.00042998,
0.00219483
],
[
0.00154225,
-0.00217739,
-0.00051103
],
[
0.00154225,
-0.00042998,
-0.00219483
],
[
-0.00154225,
0.00217739,
0.00051103
],
[
0.00116023,
-0.00003886,
-0.00088495
],
[
-0.00116023,
0.0008829,
0.00007163
],
[
-0.00116023,
0.00003886,
0.00088495
],
[
0.00116023,
-0.0008829,
-0.00007163
],
[
-0.00037462,
-0.00080994,
0.00204913
],
[
0.00037462,
-0.00207774,
0.00073344
],
[
0.00037462,
0.00080994,
-0.00204913
],
[
-0.00037462,
0.00207774,
-0.00073344
]
] | 2.113756
| 12.718491
|
pbe
| true
|
44780208a20b1300da584e2c2d694102_15_K2Ti4Zn2O12
|
[
"Be",
"Cl",
"Ir"
] | 4
|
A2BC
|
BeClIr2
|
Be1 Ir2 Cl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.49408513,
0,
0
],
[
0,
2.73863304,
0.01657679
],
[
0,
1.33653038,
7.67125197
]
] |
agm003937280
|
[
[
0,
2.2095560593363675,
2.7881448249935223
],
[
0,
2.2247801298286314,
0.3774822200978341
],
[
1.747042565,
0.846085991340764,
1.93176377429542
],
[
1.747042565,
3.570956030245871,
6.450929187491512
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Be",
"Ir",
"Ir",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
0.63385844,
0,
0
],
[
0,
-2.1611843,
0.04236483
],
[
0,
0.04236488,
-1.4995246
]
] | -22.675271
|
[
0,
0,
0,
0
] |
[
[
0,
0.00667371,
-0.02500436
],
[
0,
-0.00241645,
0.04270277
],
[
0,
-0.00260448,
-0.015752
],
[
0,
-0.00165278,
-0.0019464
]
] | -0.000003
| 3.752871
|
pbe
| true
|
9753b94d162a8ab1814c1478e1c0c0cb_6_Be1Ir2Cl1
|
[
"K",
"O",
"U",
"W"
] | 120
|
A10B2C2D
|
K2O10U2W
|
K16 O80 U16 W8
| 4
|
[
1,
1,
1
] | 3
|
[
[
8.37347614,
-0.09093252,
0
],
[
-2.06237806,
9.02478117,
0
],
[
0,
0,
29.13607867
]
] |
mp-561009
|
[
[
3.295000742341514,
4.469538340199187,
17.62039932720306
],
[
2.6279145045736354,
3.528718186140556,
25.576477612521014
],
[
0.5451736576662278,
0.2904959334412974,
21.835063636451004
],
[
1.4996758301734947,
1.5389376490598892,
15.099731688856576
],
[
5.783463544573635,
7.995642511140556,
18.127640392478984
],
[
5.7659244223337724,
8.643352716558702,
7.301015033548998
],
[
8.234024437658485,
-0.0935465351991867,
3.0523599922030606
],
[
2.610375382333772,
4.176428391558702,
7.267024301451002
],
[
3.016097337658485,
4.464310309800814,
11.515679342796938
],
[
4.655224870173494,
6.00586197405989,
28.604386316143426
],
[
3.700722697666227,
4.7574202584412975,
21.869054368548998
],
[
4.811422249826505,
7.394911000940112,
14.036346981143424
],
[
3.6831835754263635,
5.405130463859445,
3.5596010574789854
],
[
1.6558732098265052,
2.9279866759401108,
0.5316923538565752
],
[
0.5276345354263642,
0.9382061388594445,
11.008438277521014
],
[
-1.9229263576584852,
9.027395185199188,
26.08371867779694
],
[
1.1465993934408096,
7.076265849518402,
24.228950872959143
],
[
6.71626685780596,
3.7426707876563436,
26.289162412993267
],
[
-0.8321021702851021,
4.796691302719249,
16.535327179331894
],
[
4.3858249297148975,
0.238834457719248,
27.168790825668104
],
[
6.364526493440809,
2.5184090045184013,
19.475167132040855
],
[
1.4983397578059596,
8.300527632656344,
17.41495559200673
],
[
0.1667626892088473,
5.816766334622208,
19.98029204392298
],
[
4.812758322194039,
0.6333210173436564,
11.721123077993271
],
[
5.3846897892088466,
1.2589094896222075,
23.723825961077022
],
[
-0.053428413440809876,
6.4154396454816,
9.660911537959144
],
[
1.925273150285102,
8.695014192280752,
1.9672878443318955
],
[
6.144335390791152,
3.117082315377793,
9.15578662607702
],
[
5.16449868655919,
1.8575828004815989,
4.907127797040857
],
[
-0.40516877780595983,
5.191177862343657,
2.8469162570067303
],
[
0.9264082907911525,
7.674939160377793,
5.412252708922979
],
[
7.143200250285101,
4.137157347280752,
12.600751490668104
],
[
3.365659730964971,
0.3539258651373288,
8.444051370408621
],
[
-0.21011069096497179,
4.112998459862672,
23.01209070540862
],
[
6.521208770964971,
4.820850190137329,
6.123987964591379
],
[
0.28272478164617004,
7.31779382582183,
13.607276849495962
],
[
2.9454383490350287,
8.579922784862672,
20.692027299591377
],
[
6.02837329835383,
1.616054824178171,
15.528801820504038
],
[
5.500651881646169,
2.7599369808218293,
0.9607624855040366
],
[
0.8104461983538299,
6.173911669178172,
28.175316184495962
],
[
3.3148054351853125,
1.6877046325684082,
12.023716405742128
],
[
3.6315171901168126,
2.877566009167891,
4.837078253980869
],
[
1.4638407402442806,
7.716824594911633,
19.825038700565162
],
[
6.257893628524249,
2.704360832705637,
17.15591487465379
],
[
-0.37066976024428117,
5.774880900088369,
5.256999365565164
],
[
5.59320141681642,
1.0581015977365205,
13.776412660257673
],
[
5.536232110819921,
5.069348312993924,
12.71376626077802
],
[
5.446565194898018,
1.8810319664596877,
25.94856252742333
],
[
4.606129118694626,
4.135687552954937,
9.339498051554186
],
[
1.0399665285242494,
7.262217677705638,
26.548203130346213
],
[
2.7824943745726576,
1.1867049844884665,
27.169569341690167
],
[
0.37527431681642065,
5.61595844273652,
0.7916266747423266
],
[
4.226476031094517,
7.358556234784351,
20.66377375274429
],
[
-0.9927351764155973,
4.419362040729669,
18.731653155367088
],
[
0.4536048448081969,
7.7645149892637475,
7.731372688512887
],
[
-0.08552172188297645,
5.082168881006457,
24.691686286705856
],
[
1.501002112482642,
7.814253731968672,
28.965337169942785
],
[
4.847257339755719,
1.2170240550883678,
9.311039969434836
],
[
4.8100959675173565,
1.1195949180313287,
0.17074150005721378
],
[
5.857493235191802,
1.169333660736253,
21.404705981487112
],
[
6.718929212482642,
3.2563968869686715,
14.738780835057215
],
[
0.6395661351918032,
5.727190505736254,
22.299412023512886
],
[
6.68176784024428,
3.158967749911633,
23.879079304434836
],
[
0.7748659691800786,
3.8645003370060773,
16.422312409221977
],
[
7.156884230811071,
3.297863438539793,
1.6298058105404325
],
[
2.6795808898831868,
6.0562826408321095,
24.29900041601913
],
[
0.8645328851019818,
7.052816683540313,
3.18751614257667
],
[
3.9304150091800776,
8.331424662006077,
27.28180559577802
],
[
-0.4078311324826426,
5.677451763031329,
14.397297834942785
],
[
5.132405378117023,
0.5243120360064574,
19.012431718294145
],
[
3.954756921635405,
2.3867631620238416,
23.406742970044785
],
[
2.0846220489054823,
1.57529241521565,
8.472304917255707
],
[
1.5314988528562679,
5.478489550600827,
9.466086155273308
],
[
1.178692701882976,
8.409536613993543,
10.123646951705856
],
[
4.7795992271437315,
3.4553590993991734,
19.669992514726694
],
[
1.704968961305373,
4.798161097045065,
19.796580618445812
],
[
7.897507989883186,
1.498425795832109,
19.40511758898087
],
[
-0.8457861508110717,
5.635985211460208,
27.506272859459568
],
[
2.996292644814687,
7.246144017431592,
17.11236226425787
],
[
2.1030681941363114,
4.976222073172595,
27.848910813732473
],
[
0.053204451475750425,
6.2294878172943635,
11.980163795346211
],
[
5.9380434145726575,
5.653629309488466,
16.53454866330983
],
[
0.3730546654273416,
3.280219340511534,
12.601530006690167
],
[
5.671531944808197,
3.2066581442637476,
6.836666646487114
],
[
2.1099735049431243,
8.431358525187516,
22.387380837676496
],
[
-1.5864099098831872,
7.435422854167891,
9.73096108101913
],
[
4.372140949188927,
1.0781283664602077,
16.19784514554043
],
[
4.148284216415597,
0.04756228427033101,
4.163613820367088
],
[
-1.0098972141363116,
8.515483421827406,
13.280871478732474
],
[
5.240171088905482,
6.0422167402156495,
6.095734417744294
],
[
5.244414918520978,
4.804556309499871,
25.986436807447248
],
[
6.396619801882975,
3.851679768993543,
4.444392383294144
],
[
2.0888658785209775,
0.337631984499871,
17.71768119755275
],
[
1.0666831614790224,
4.12929234050013,
3.14964186255275
],
[
-1.2631701783645943,
6.944620007023842,
20.297375034955216
],
[
2.1628138635844025,
8.88628636572967,
24.97246484963291
],
[
7.320995294136311,
0.4183652281725948,
15.855207191267528
],
[
6.082459985101981,
2.4949598385403124,
11.380523192423329
],
[
4.208029885863688,
3.9576265768274057,
1.2871678562675262
],
[
-0.6117979813053733,
8.693544397954936,
5.228541283445815
],
[
-0.43832787285626834,
8.013215944399175,
24.034125490273308
],
[
7.574268258364595,
1.9892286429761583,
8.838703635044785
],
[
4.222232201479021,
8.59621666550013,
11.41839747244725
],
[
1.9389571308110711,
7.855720283539793,
12.938233524459568
],
[
5.935823763183579,
3.3178902072634804,
28.34445199525767
],
[
4.201124575056874,
0.5024901248124843,
6.7486978323235025
],
[
7.303833256415596,
4.514486609270331,
10.404425514632912
],
[
-1.016802524943125,
5.0603469698124846,
7.819341502676497
],
[
2.356341158364594,
6.547085487976158,
5.729335699955215
],
[
1.0709269910945174,
2.8916319097843504,
23.040344252255707
],
[
5.27113155147575,
1.6716309722943627,
2.587875539653788
],
[
0.22863809489801842,
6.438888811459687,
17.755555477576667
],
[
0.7178966631835789,
7.87574705226348,
15.359666009742327
],
[
2.3806830708199214,
0.6024239879939229,
1.8542730742219795
],
[
6.922896061305373,
0.2403042520450638,
23.907537386554186
],
[
6.470354475185312,
6.154628957568408,
2.5443229292578717
],
[
6.749425952856268,
0.9206327056008268,
5.101953179726693
],
[
-0.1592563951853126,
2.779219692431592,
26.59175574074213
],
[
7.327900604943124,
3.873501680187516,
21.316737167323502
],
[
3.528603705427342,
7.747143665511534,
1.9665093283098334
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"W",
"W",
"W",
"W",
"W",
"W",
"W",
"W",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2014-03-20 17:23:34
|
[
0.13333333333333333,
0.6666666666666666,
0.13333333333333333,
0.06666666666666667
] |
[] | -970.376826
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[] | 0
| 0.80637
|
pbe
| true
|
13e6da4da2c5438b3bb24126b06a04d9_14_K16U16W8O80
|
[
"Au",
"Tl"
] | 4
|
A3B
|
Au3Tl
|
Tl1 Au3
| 2
|
[
1,
1,
1
] | 3
|
[
[
3.57762716,
0,
0
],
[
0,
3.86784998,
0
],
[
0,
0,
5.89995881
]
] |
agm003162910
|
[
[
0,
0,
0
],
[
1.78881358,
1.93392499,
4.352106622182495
],
[
0,
0,
2.949979405
],
[
1.78881358,
1.93392499,
1.5478521878175047
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Tl",
"Au",
"Au",
"Au"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
6.4226985,
0,
0
],
[
0,
6.516372,
0
],
[
0,
0,
6.6713037
]
] | -11.901445
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.0043983
],
[
0,
0,
0
],
[
0,
0,
-0.0043983
]
] | 0
| 0.81864
|
pbe
| true
|
ef6da75cc25c0bc4b3525b78f268e482_47_Tl1Au3
|
[
"Ge",
"Ho",
"Tm"
] | 6
|
ABC
|
GeHoTm
|
Ho2 Tm2 Ge2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.99964592,
0.00003449,
0.00250979
],
[
-0.00014547,
4.78444048,
0.24068237
],
[
-1.98801001,
-0.38095576,
7.61460003
]
] |
agm003600324
|
[
[
2.614932748428625,
2.3600725044642386,
3.2068561800829234
],
[
-1.3475327417351561,
-0.141693949547225,
5.249906049664534
],
[
2.6285422605160753,
0.09057198257353409,
0.5954118155150501
],
[
0.626855787566471,
2.5057264202161984,
0.2471009543240204
],
[
0.6370228862561559,
2.233790877086575,
5.734641508918069
],
[
0.6300228504713905,
-0.009810871372442204,
2.7241288623698443
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
|
[
"Ho",
"Ho",
"Tm",
"Tm",
"Ge",
"Ge"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
1.2495463,
-0.00430197,
0.03715743
],
[
-0.00430203,
1.17126,
-0.007028
],
[
0.03715733,
-0.00702774,
1.1566327
]
] | -30.365079
|
[
0,
0,
0,
0,
0,
0
] |
[
[
0.00087222,
0.00355754,
-0.00005609
],
[
0.00027861,
0.0040336,
0.00327364
],
[
-0.00066043,
0.00346924,
-0.00250013
],
[
0.00171348,
0.00379459,
0.0021809
],
[
-0.00150013,
-0.00358487,
-0.00001746
],
[
-0.00070376,
-0.01127011,
-0.00288085
]
] | -0
| 3.875969
|
pbe
| true
|
cd068dcdcbea202efaffe62d9a320d82_11_Ho2Tm2Ge2
|
[
"Cd",
"Hg",
"Na"
] | 4
|
A2BC
|
CdHgNa2
|
Na2 Cd1 Hg1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.75280988,
0,
0
],
[
0,
3.75280988,
0
],
[
0,
0,
7.48735579
]
] |
agm001125522
|
[
[
0,
0,
5.655445413456912
],
[
0,
0,
1.831910376543088
],
[
1.87640494,
1.87640494,
0
],
[
1.87640494,
1.87640494,
3.743677895
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]
|
[
"Na",
"Na",
"Hg",
"Cd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
3.727403,
0,
0
],
[
0,
3.727403,
0
],
[
0,
0,
3.6183054
]
] | -4.490778
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00223582
],
[
0,
0,
-0.00223582
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002
| 1.387219
|
pbe
| true
|
e1bd5329208f904227470f68329aeb9a_123_Na2Cd1Hg1
|
[
"Au",
"Tl"
] | 12
|
A2B
|
Au2Tl
|
Tl4 Au8
| 2
|
[
1,
1,
1
] | 3
|
[
[
6.80739078,
0,
0
],
[
0,
6.80739078,
0
],
[
0,
0,
6.80739078
]
] |
agm005509070
|
[
[
0,
0,
0
],
[
3.40369539,
3.40369539,
0
],
[
3.40369539,
0,
3.40369539
],
[
0,
3.40369539,
3.40369539
],
[
4.191312409315419,
4.191312409315419,
2.616078370684582
],
[
2.616078370684582,
2.616078370684582,
4.191312409315419
],
[
0.7876170193154185,
6.019773760684582,
4.191312409315419
],
[
6.019773760684582,
0.7876170193154185,
2.616078370684582
],
[
2.616078370684582,
0.7876170193154185,
0.7876170193154185
],
[
4.191312409315419,
6.019773760684582,
6.019773760684582
],
[
6.019773760684582,
2.616078370684582,
6.019773760684582
],
[
0.7876170193154185,
4.191312409315419,
0.7876170193154185
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Tl",
"Tl",
"Tl",
"Tl",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au"
] |
2023-11-16 06:57:59
|
[
0.6666666666666666,
0.3333333333333333
] |
[
[
5.003678,
0,
0
],
[
0,
5.003678,
0
],
[
0,
0,
5.003678
]
] | -31.891608
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00085497,
0.00085497,
-0.00085497
],
[
-0.00085497,
-0.00085497,
0.00085497
],
[
0.00085497,
-0.00085497,
0.00085497
],
[
-0.00085497,
0.00085497,
-0.00085497
],
[
-0.00085497,
0.00085497,
0.00085497
],
[
0.00085497,
-0.00085497,
-0.00085497
],
[
-0.00085497,
-0.00085497,
-0.00085497
],
[
0.00085497,
0.00085497,
0.00085497
]
] | -0.000001
| 4.654406
|
pbe
| true
|
69e37547269069166d99d6f0226f7979_205_Tl4Au8
|
[
"B",
"Er"
] | 4
|
AB
|
BEr
|
Er2 B2
| 2
|
[
1,
1,
1
] | 3
|
[
[
3.50966074,
0,
-0.0133683
],
[
0,
3.17901731,
0
],
[
-1.73820456,
0,
6.33232491
]
] |
agm001418030
|
[
[
1.7696271343921262,
0.7947543275,
6.010152002058362
],
[
0.0018290456078742033,
2.3842629825,
0.3088046079416373
],
[
1.75971495069635,
0.7947543275,
1.586265905322181
],
[
0.011741229303650074,
2.3842629825,
4.732690704677818
]
] |
[{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
|
[
"B",
"B",
"Er",
"Er"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
0.08914586,
0,
-0.05841961
],
[
0,
-0.04691367,
0
],
[
-0.05841979,
0,
0.06232964
]
] | -24.124499
|
[
0,
0,
0,
0
] |
[
[
-0.00141065,
0,
0.00361887
],
[
0.00141065,
0,
-0.00361887
],
[
-0.00041999,
0,
-0.00033483
],
[
0.00041999,
0,
0.00033483
]
] | 0
| 2.80512
|
pbe
| true
|
5665e8336f33e21b65f5bc46d4ce1ae6_63_Er2B2
|
[
"Ge",
"I",
"Mn"
] | 5
|
A3BC
|
GeIMn3
|
Mn3 Ge1 I1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.89500953,
0,
0
],
[
0,
4.89500953,
0
],
[
0,
0,
4.89500953
]
] |
agm002526089
|
[
[
0,
0,
0
],
[
2.447504765,
2.447504765,
2.447504765
],
[
0,
2.447504765,
0
],
[
0,
0,
2.447504765
],
[
2.447504765,
0,
0
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
"Ge",
"Mn",
"Mn",
"Mn"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
] |
[
[
2.8878813,
0,
0
],
[
0,
2.8878813,
0
],
[
0,
0,
2.8878813
]
] | -26.607639
|
[
-0.076,
-0.136,
3.404,
3.272,
3.598
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 10.341248
| 5.493452
|
pbe
| true
|
488b2b93a476d80705c3bc0f7b2cb372_221_Mn3Ge1I1
|
[
"Be",
"Cl",
"K"
] | 5
|
A3BC
|
Be3ClK
|
K1 Be3 Cl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.17849697,
0,
0
],
[
0,
6.17849697,
0
],
[
0,
0,
6.17849697
]
] |
agm002421882
|
[
[
0,
3.089248485,
0
],
[
0,
0,
3.089248485
],
[
3.089248485,
0,
0
],
[
0,
0,
0
],
[
3.089248485,
3.089248485,
3.089248485
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
|
[
"Be",
"Be",
"Be",
"K",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.6,
0.2,
0.2
] |
[
[
0.88673675,
0,
0
],
[
0,
0.88673675,
0
],
[
0,
0,
0.88673675
]
] | -4.8069
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000014
| 0
|
pbe
| true
|
f78ca65e393a7b57cb51e958edfbf4aa_221_K1Be3Cl1
|
[
"Be",
"Cl",
"Mo"
] | 4
|
A2BC
|
BeCl2Mo
|
Be1 Mo1 Cl2
| 3
|
[
1,
1,
1
] | 3
|
[
[
1.75230283,
0,
8.53246878
],
[
-0.87615141,
1.51753876,
8.53246878
],
[
-0.87615141,
-1.51753876,
8.53246878
]
] |
agm002756103
|
[
[
0,
0,
0
],
[
5.000000080634948e-9,
0,
12.79870317
],
[
9.031619946729639e-9,
-7.289170331342234e-17,
23.11860444887302
],
[
9.683801000804654e-10,
3.989562653734424e-18,
2.4788018911269836
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
|
[
"Be",
"Mo",
"Cl",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
-0.10652621,
0,
0
],
[
0,
-0.10652621,
0
],
[
0,
0,
-0.33438995
]
] | -17.134801
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.01741979
],
[
0,
0,
0.01741979
]
] | 0
| 1.240308
|
pbe
| true
|
485b1bc024b875cc6faa1fea84d68e1b_166_Be1Mo1Cl2
|
[
"Ba",
"Ca"
] | 4
|
A3B
|
BaCa3
|
Ba1 Ca3
| 2
|
[
1,
1,
1
] | 3
|
[
[
7.49841756,
-0.00120457,
-0.00399941
],
[
-3.41017983,
6.67809411,
-0.00399941
],
[
-3.41017983,
-5.56948874,
3.68480014
]
] |
agm003162921
|
[
[
2.0441188649999997,
3.33844477,
-0.00399941
],
[
-3.41017983,
0.5543026850000001,
1.840400365
],
[
2.0441188649999997,
-2.7853466549999997,
1.840400365
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
|
[
"Ca",
"Ca",
"Ca",
"Ba"
] |
2023-11-16 06:57:59
|
[
0.25,
0.75
] |
[
[
0.8066267,
-0.01293536,
-0.04294809
],
[
-0.01293536,
0.79342103,
-0.0701426
],
[
-0.04294809,
-0.0701426,
0.58165896
]
] | -7.767402
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000029
| 4.184387
|
pbe
| true
|
6ae0e13ac141f71e92876a48e7f0e73f_166_Ba1Ca3
|
[
"Ba",
"Cl"
] | 4
|
A3B
|
Ba3Cl
|
Ba3 Cl1
| 2
|
[
1,
1,
1
] | 3
|
[
[
4.09784994,
0,
0
],
[
0,
4.09784994,
0
],
[
0,
0,
11.56063061
]
] |
agm003855055
|
[
[
0,
0,
10.903452805824124
],
[
2.04892497,
2.04892497,
2.8901576525
],
[
0,
0,
6.437493109175876
],
[
2.04892497,
2.04892497,
8.6704729575
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
|
[
"Ba",
"Ba",
"Ba",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
0.11168424,
0,
0
],
[
0,
0.11168424,
0
],
[
0,
0,
-0.03403765
]
] | -10.503998
|
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00174217
],
[
0,
0,
0
],
[
0,
0,
0.00174217
],
[
0,
0,
0
]
] | 0.000173
| 4.779944
|
pbe
| true
|
aa44eeec760de200b19e333fd4e092fc_123_Ba3Cl1
|
[
"Be",
"Cl",
"Mo"
] | 4
|
A2BC
|
BeCl2Mo
|
Be1 Mo1 Cl2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.81602005,
0,
0
],
[
0,
4.17580409,
0
],
[
0,
0,
4.17580409
]
] |
agm004042621
|
[
[
1.908010025,
0,
2.087902045
],
[
1.908010025,
2.087902045,
0
],
[
0,
0,
0
],
[
0,
2.087902045,
2.087902045
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
|
[
"Be",
"Mo",
"Cl",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
0.72490585,
0,
0
],
[
0,
-0.00074663,
0
],
[
0,
0,
-0.00074663
]
] | -14.800654
|
[
-0.094,
2.468,
-0.006,
-0.006
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.689976
| 2.617573
|
pbe
| true
|
a93a48d0dfa751087f0583266678ca82_123_Be1Mo1Cl2
|
[
"K",
"Pb",
"Se",
"Sm"
] | 12
|
A3BCD
|
KPbSe3Sm
|
K1 Pb1 Se3 Sm1
| 4
|
[
1,
1,
1
] | 3
|
[
[
2.13957857,
-8.486847218,
0
],
[
2.13957857,
8.486847218,
0
],
[
0,
0,
12.109609997
]
] |
oqmd-8716325
|
[
[
2.13958,
5.64821,
3.0274
],
[
2.13958,
-5.64821,
9.082210000000002
],
[
2.13958,
-6.64288,
3.0274
],
[
2.13958,
6.64288,
9.082210000000002
],
[
2.13958,
-6.4968,
0.05165
],
[
2.13958,
-0.08432000000000005,
3.0274
],
[
2.13958,
-6.4968,
6.00316
],
[
2.13958,
6.4968,
6.10645
],
[
2.13958,
0.08432000000000016,
9.082210000000002
],
[
2.13958,
6.4968,
12.05796
],
[
2.13958,
5.489837587846314e-17,
0
],
[
2.13958,
5.489837587846314e-17,
6.0548
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"K",
"K",
"Pb",
"Pb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Sm",
"Sm"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] |
[
[
1.78057287,
0,
0
],
[
0,
3.39880404,
0
],
[
0,
0,
2.79347465
]
] | -54.1597
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0.05955,
0
],
[
0,
-0.05955,
0
],
[
0,
0.044681,
0
],
[
0,
-0.044681,
0
],
[
0,
-0.003278,
-0.012522
],
[
0,
0.008104,
0
],
[
0,
-0.003278,
0.012522
],
[
0,
0.003278,
-0.012522
],
[
0,
-0.008104,
0
],
[
0,
0.003278,
0.012522
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.01296
| null |
pbe
| true
|
181422f3cb42679259e3fc91335cd3cb_63_K2Sm2Pb2Se6
|
[
"K",
"Pb",
"Sn",
"Tl"
] | 5
|
A2BCD
|
KPbSn2Tl
|
K1 Tl1 Sn2 Pb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.44060937,
0,
0
],
[
0,
5.43268096,
0
],
[
-2.22030469,
-2.71634048,
7.22032613
]
] |
agm005003923
|
[
[
-4.428629610428976e-9,
-1.8815633387384875e-17,
6.39523000419429
],
[
2.2203047038658443,
2.7163405071634044,
4.819138298980049
],
[
2.220304660761383,
-2.716340497311726e-8,
2.9394952022594687
],
[
2.1587617099355884e-8,
2.716340476613394e-8,
0.8887207010208735
],
[
2.0498478511705212e-8,
2.716340507163405,
2.4615078795751972
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"K",
"Tl",
"Sn",
"Sn",
"Pb"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
4.3949924,
0,
0
],
[
0,
4.29201,
0
],
[
0,
0,
4.399215
]
] | -15.63606
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
-0.00616199
],
[
0,
0,
-0.00061661
],
[
0,
0,
0.00698595
],
[
0,
0,
0.00073736
],
[
0,
0,
-0.00094471
]
] | -0
| 2.09207
|
pbe
| true
|
befd196aa1ce215cfe0e052a37199543_44_K1Tl1Sn2Pb1
|
[
"Ba",
"Li"
] | 4
|
AB
|
BaLi
|
Ba2 Li2
| 2
|
[
1,
1,
1
] | 3
|
[
[
5.25088439,
0,
0
],
[
0,
5.04423835,
0.01237484
],
[
0,
2.49144695,
6.77818152
]
] |
agm003162994
|
[
[
0,
0.3111692127680155,
0.5829245920112909
],
[
2.625442195,
5.3405947622319845,
4.509992677988709
],
[
0,
2.824597177074426,
3.382849253181702
],
[
2.625442195,
2.8271667979255737,
1.7100680168182982
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
|
[
"Ba",
"Ba",
"Li",
"Li"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
0.04518839,
0,
0
],
[
0,
0.23010422,
0.06918071
],
[
0,
0.06918071,
0.11761234
]
] | -7.501499
|
[
0,
0,
0,
0
] |
[
[
0,
0.00083231,
0.00178017
],
[
0,
-0.00083231,
-0.00178017
],
[
0,
-0.00096457,
-0.00326384
],
[
0,
0.00096457,
0.00326384
]
] | 0.000007
| 3.856563
|
pbe
| true
|
76dc466f3558ed1653f19af27a5551f1_63_Ba2Li2
|
[
"Be",
"Bi"
] | 5
|
A4B
|
Be4Bi
|
Be4 Bi1
| 2
|
[
1,
1,
1
] | 3
|
[
[
4.77699139,
0,
0
],
[
0,
4.77699139,
0
],
[
0,
0,
4.77699139
]
] |
agm006186060
|
[
[
0,
0,
0
],
[
2.388495695,
0,
2.388495695
],
[
0,
2.388495695,
2.388495695
],
[
2.388495695,
2.388495695,
0
],
[
2.388495695,
2.388495695,
2.388495695
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
|
[
"Be",
"Be",
"Be",
"Be",
"Bi"
] |
2023-11-16 06:57:59
|
[
0.8,
0.2
] |
[
[
0.085463,
0,
0
],
[
0,
0.085463,
0
],
[
0,
0,
0.085463
]
] | -9.424479
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000032
| 2.752242
|
pbe
| true
|
fe93992e702627a6b2fd1f7de4b26db1_221_Be4Bi1
|
[
"Be",
"Cl",
"Os"
] | 4
|
A2BC
|
BeClOs2
|
Be1 Os2 Cl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.71169399,
0,
0
],
[
0,
4.82328094,
0
],
[
0,
0,
4.26429002
]
] |
agm003988786
|
[
[
1.355846995,
0,
2.13214501
],
[
0,
0,
0
],
[
1.355846995,
2.41164047,
0
],
[
0,
2.41164047,
2.13214501
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"Be",
"Os",
"Os",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
1.0828824,
0,
0
],
[
0,
1.2640204,
0
],
[
0,
0,
0.39254513
]
] | -24.465572
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000313
| 3.800585
|
pbe
| true
|
628c250bad3ebdb2d0eca9bd66a02b16_47_Be1Os2Cl1
|
[
"Cd",
"Pd",
"Tb"
] | 16
|
A3B3C2
|
Cd2Pd3Tb3
|
Tb6 Cd4 Pd6
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.7905432,
0,
0
],
[
0,
7.33239166,
-4.23335794
],
[
0,
0,
8.46671689
]
] |
agm005576777
|
[
[
4.3429074,
1.9888756756754489,
-1.148277809438991
],
[
4.3429074,
5.343515984324551,
3.0850808666034073
],
[
4.3429074,
0,
2.296555892835584
],
[
1.4476358,
5.343515984324551,
-3.085080130561009
],
[
1.4476358,
1.9888756756754489,
1.1482780833965927
],
[
1.4476358,
7.33239166,
1.9368030571644164
],
[
0,
2.44412810920278,
4.233362846691611
],
[
2.8952716,
4.88826355079722,
-0.000003896691610268729
],
[
0,
4.88826355079722,
-0.000003896691610268729
],
[
2.8952716,
2.44412810920278,
4.233362846691611
],
[
4.3429074,
4.496349049668135,
-2.5959681142324653
],
[
4.3429074,
2.836042610331865,
1.6373902164181127
],
[
4.3429074,
7.33239166,
0.9585789078143531
],
[
1.4476358,
2.836042610331865,
-1.6373898257675352
],
[
1.4476358,
4.496349049668135,
2.595968733581888
],
[
1.4476358,
0,
3.2747800421856477
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Cd",
"Cd",
"Cd",
"Cd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.375,
0.375
] |
[
[
4.75145,
0,
0
],
[
0,
4.7323008,
3.2e-7
],
[
0,
3.2e-7,
4.7323008
]
] | -73.507413
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
-0.00148017,
0.00085458
],
[
0,
0.00148017,
0.00085458
],
[
0,
0,
-0.00170915
],
[
0,
0.00148017,
-0.00085458
],
[
0,
-0.00148017,
-0.00085458
],
[
0,
0,
0.00170915
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00261381,
-0.00150908
],
[
0,
-0.00261381,
-0.00150908
],
[
0,
0,
0.00301817
],
[
0,
-0.00261381,
0.00150908
],
[
0,
0.00261381,
0.00150908
],
[
0,
0,
-0.00301817
]
] | 0.000017
| 10.565001
|
pbe
| true
|
94e2a6efb565f514290712fc703a2c12_193_Tb6Cd4Pd6
|
[
"Be",
"Ca"
] | 3
|
A2B
|
BeCa2
|
Ca2 Be1
| 2
|
[
1,
1,
1
] | 3
|
[
[
7.01863964,
-0.02811331,
0
],
[
5.2005182,
4.71345978,
0
],
[
-6.10957861,
-2.34267311,
2.5390992
]
] |
agm004077997
|
[
[
6.109578920000001,
2.342673235,
0
],
[
1.5941018008632848,
0.6112466459059533,
0
],
[
4.515477429136716,
1.731426714094047,
2.5390992
]
] |
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
|
[
"Be",
"Ca",
"Ca"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.6666666666666666
] |
[
[
-0.0798575,
-0.03711938,
0
],
[
-0.03711938,
0.00271491,
0
],
[
0,
0,
0.01694808
]
] | -6.936852
|
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
-0.00142852,
-0.00054776,
0
],
[
0.00142852,
0.00054776,
0
]
] | 0.000005
| 2.715792
|
pbe
| true
|
9849d18d3a7491d5dfe2c65305b01a20_139_Ca2Be1
|
[
"K",
"Pd",
"Se",
"Ta"
] | 20
|
A12B4C3D
|
KPd4Se12Ta3
|
K1 Ta3 Pd4 Se12
| 4
|
[
1,
1,
1
] | 3
|
[
[
9.02587663,
-0.62980262,
-0.87496782
],
[
-2.78597295,
8.6082202,
-0.87496782
],
[
-2.78597295,
-3.56217927,
7.8852966
]
] |
agm004708544
|
[
[
0,
0,
0
],
[
3.773359026355466,
3.478180397924609,
-0.87496782
],
[
2.466544653644535,
-2.2582039805821013,
3.989764171569695
],
[
-2.78597295,
3.1962618926574913,
3.020564608430305
],
[
6.996992027632456,
-1.9135576612913798,
3.0676804800000004
],
[
-3.5430612976324563,
0.8997971157025064,
6.976198511188004
],
[
1.7269653650000005,
7.638118010588873,
-0.8408375511880036
],
[
1.7269653650000005,
2.2081191550000003,
3.06768048
],
[
1.726965365,
0.203012130310968,
4.510958309127443
],
[
6.363759126004144,
3.359236570062293,
-0.3712000384397362
],
[
-2.9098283960041433,
5.834545845051864,
3.06768048
],
[
1.7269653650000008,
-2.5694249501141573,
6.506560998439737
],
[
-0.008581254303092156,
6.315005850267873,
0.675592224893994
],
[
-1.3216371264505904,
-0.3369476625244774,
6.202865379819682
],
[
6.131028222839662,
0.1603163197398929,
1.6494207993555559
],
[
3.462511984303093,
5.780124220313574,
-0.06750441981968212
],
[
-2.6770974928396614,
2.903008174161181,
5.459768735106006
],
[
4.775567856450591,
-1.5727919719580454,
4.485940160644445
],
[
3.673000302128337,
2.6912363307708205,
1.6244026508725566
],
[
-0.21906957212833644,
3.730109003918211,
3.06768048
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"K",
"Ta",
"Ta",
"Ta",
"Pd",
"Pd",
"Pd",
"Pd",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.05,
0.2,
0.6,
0.15
] |
[
[
1.6500502,
-0.05300934,
-0.07364445
],
[
-0.05300934,
1.6237302,
-0.0941627
],
[
-0.07364445,
-0.0941627,
1.5606909
]
] | -106.54178
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.00236222,
-0.00184749,
0
],
[
-0.00236222,
-0.00058644,
0.00175194
],
[
0,
0.00243392,
-0.00175194
],
[
-0.00034116,
0.00026682,
0
],
[
0.00034116,
0.00008469,
-0.00025302
],
[
0,
-0.00035151,
0.00025302
],
[
0,
0,
0
],
[
0,
-0.00564158,
0.00406081
],
[
-0.00390766,
-0.00097011,
0.00289812
],
[
0.00390766,
-0.00305618,
0
],
[
0,
0.00402628,
-0.00289812
],
[
0.00154174,
-0.00311709,
0.00242138
],
[
0.00281733,
0.00228796,
-0.00218728
],
[
-0.00339673,
0.00205959,
0.00147534
],
[
-0.00154174,
-0.0032856,
0.00218728
],
[
0.00339673,
-0.00074528,
-0.00242138
],
[
-0.00281733,
0.00280042,
-0.00147534
],
[
0.00547538,
0.0013593,
-0.00406081
],
[
-0.00547538,
0.00428228,
0
]
] | 0.000011
| 13.586517
|
pbe
| true
|
f4579771db2681f7a7059c81fe931937_155_K1Ta3Pd4Se12
|
[
"Ge",
"I",
"Nd"
] | 12
|
A3B2C
|
GeI3Nd2
|
Nd4 Ge2 I6
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.77493349,
0,
0
],
[
2.38746675,
9.68817238,
0.11496044
],
[
2.38746675,
2.42935693,
10.34377641
]
] |
agm003428232
|
[
[
7.162400217455687,
6.571023861707723,
8.170547962989552
],
[
2.387466772544312,
5.546505448292277,
2.2881888870104485
],
[
4.774931082595384,
3.5040032427930865,
5.90198179733793
],
[
4.774935907404616,
8.613526067206914,
4.55675505266207
],
[
4.7749358591777264,
6.324058657595478,
6.468067891302838
],
[
4.7749311308222735,
5.793470652404522,
3.9906689586971615
],
[
2.38746916092433,
3.2373994945248477,
8.056711578884801
],
[
7.162397829075671,
8.880129815475152,
2.4020252711151984
],
[
4.774933517232207,
6.503717417389008,
0.0799691653878471
],
[
4.774933472767793,
5.613811892610992,
10.378767684612153
],
[
7.162400218455314,
9.690184025563536,
6.527556130244585
],
[
2.3874667715446853,
2.4273452844364622,
3.931180719755415
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"Nd",
"Nd",
"Nd",
"Nd",
"Ge",
"Ge",
"I",
"I",
"I",
"I",
"I",
"I"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.5,
0.3333333333333333
] |
[
[
0.44861805,
0,
0
],
[
0,
0.53649557,
-0.00429795
],
[
0,
-0.00429795,
0.39284152
]
] | -50.815843
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
-0.00000679,
-0.00074607
],
[
0,
0.00000679,
0.00074607
],
[
0,
-0.00349295,
0.00291333
],
[
0,
0.00349295,
-0.00291333
],
[
0,
-0.00121841,
-0.00152101
],
[
0,
0.00121841,
0.00152101
],
[
0,
0.00027323,
0.00010001
],
[
0,
-0.00027323,
-0.00010001
],
[
0,
0.00004272,
-0.00037258
],
[
0,
-0.00004272,
0.00037258
],
[
0,
0.00010558,
-0.00425205
],
[
0,
-0.00010558,
0.00425205
]
] | -0.000004
| 1.512384
|
pbe
| true
|
86649833134e7b29991d3f0a97aecb7d_12_Nd4Ge2I6
|
[
"Br",
"Rh"
] | 4
|
AB
|
BrRh
|
Rh2 Br2
| 2
|
[
1,
1,
1
] | 3
|
[
[
7.41684095,
-0.0376627,
0
],
[
-6.58363952,
3.41564618,
0
],
[
0,
0,
3.42155864
]
] |
agm004113481
|
[
[
-0.6058617939787492,
1.9411887177601066,
0.85538966
],
[
1.439063223978749,
1.4367947622398936,
2.56616898
],
[
-4.726617367399416,
2.9575859722394675,
0.85538966
],
[
5.559812423408476,
0.4203716661869102,
2.56616898
]
] |
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Rh",
"Br",
"Br"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
5.5184894,
0.02222923,
0
],
[
0.02222923,
5.6031284,
0
],
[
0,
0,
5.503783
]
] | -16.516403
|
[
0,
0,
0,
0
] |
[
[
0.00864861,
-0.00213324,
0
],
[
-0.00864861,
0.00213324,
0
],
[
-0.00592845,
0.00146229,
0
],
[
0.00592845,
-0.00146229,
0
]
] | -0.000025
| 4.088346
|
pbe
| true
|
fe315bdec94a05b5dbbcb5d14c94834d_63_Rh2Br2
|
[
"Ge",
"I",
"Os"
] | 5
|
A3BC
|
Ge3IOs
|
Ge3 Os1 I1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.32033533,
0,
0
],
[
0,
5.32033533,
0
],
[
0,
0,
5.32033533
]
] |
agm002483037
|
[
[
0,
0,
0
],
[
0,
2.660167665,
0
],
[
0,
0,
2.660167665
],
[
2.660167665,
0,
0
],
[
2.660167665,
2.660167665,
2.660167665
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
"Ge",
"Ge",
"Ge",
"Os"
] |
2023-11-16 06:57:59
|
[
0.6,
0.2,
0.2
] |
[
[
2.044013,
0,
0
],
[
0,
2.044013,
0
],
[
0,
0,
2.044013
]
] | -15.548213
|
[
-0.001,
-0.055,
-0.045,
0.011,
2.534
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.709767
| 4.716554
|
pbe
| true
|
2149312b71f24f951388477a7be63ec4_221_Ge3Os1I1
|
[
"Br",
"S"
] | 4
|
AB
|
BrS
|
S2 Br2
| 2
|
[
1,
1,
1
] | 3
|
[
[
4.69384101,
-0.00000155,
-1.79634815
],
[
-0.70412463,
6.85167702,
-1.83984829
],
[
-0.60601901,
-1.18232877,
5.44707554
]
] |
agm005539352
|
[
[
2.0298295164267137,
4.477801826199923,
-1.7267057470368452
],
[
1.353867853573286,
1.1915448738000776,
3.537584847036845
],
[
2.818081338679234,
4.497023391541795,
0.33296292183569964
],
[
0.5656160313207659,
1.172323308458206,
1.4779161781643007
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]
|
[
"S",
"S",
"Br",
"Br"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
0.13523528,
-0.00551772,
0.001175
],
[
-0.00551796,
0.16825703,
-0.0144181
],
[
0.001175,
-0.01441746,
0.1378541
]
] | -10.818636
|
[
0,
0,
0,
0
] |
[
[
0.0014288,
-0.00613575,
0.00373338
],
[
-0.0014288,
0.00613575,
-0.00373338
],
[
-0.00174792,
0.00260493,
-0.00456724
],
[
0.00174792,
-0.00260493,
0.00456724
]
] | 0
| -0.050745
|
pbe
| true
|
ac48a88222043fcc3f6ff07caf8c645a_12_S2Br2
|
[
"Cd",
"Pd",
"Th"
] | 4
|
A2BC
|
CdPd2Th
|
Th1 Cd1 Pd2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.49901887,
0,
0
],
[
0,
4.90195313,
0
],
[
0,
0,
4.90195313
]
] |
agm001218739
|
[
[
0,
0,
2.450976565
],
[
0,
2.450976565,
0
],
[
1.749509435,
2.450976565,
2.450976565
],
[
1.749509435,
0,
0
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Pd",
"Pd",
"Th",
"Cd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
5.475925,
0,
0
],
[
0,
6.0235257,
0
],
[
0,
0,
6.0235257
]
] | -20.806815
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002
| 2.623775
|
pbe
| true
|
b5171669cbfe18eabff158437257bc90_123_Th1Cd1Pd2
|
[
"C",
"Rh"
] | 4
|
A3B
|
C3Rh
|
Rh1 C3
| 2
|
[
1,
1,
1
] | 3
|
[
[
3.05868505,
0.02360253,
-0.01240357
],
[
1.57589717,
2.62157576,
-0.01240357
],
[
-1.59392702,
-0.90973057,
5.13027404
]
] |
agm004236294
|
[
[
1.5203276,
0.8677238599999998,
2.55273345
],
[
1.5352998305364445,
0.8762692285091971,
1.2506663493653738
],
[
1.5053553694635549,
0.8591784914908025,
3.854800550634626
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
|
[
"C",
"C",
"C",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
0.45048213,
0.26655224,
-0.17699185
],
[
0.26655224,
0.1355936,
-0.10101774
],
[
-0.1769918,
-0.10101771,
-0.4325574
]
] | -31.35374
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
-0.00300575,
-0.00171552,
0.00229909
],
[
0.00300575,
0.00171552,
-0.00229909
],
[
0,
0,
0
]
] | -0.000008
| 2.334594
|
pbe
| true
|
af91291ca8c875921ea89c484c4db1fb_12_Rh1C3
|
[
"Cd",
"Pd",
"Tm"
] | 7
|
A5BC
|
CdPd5Tm
|
Tm1 Cd1 Pd5
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.61086484,
-0.0000135,
0
],
[
-0.0000135,
4.61086484,
0
],
[
0,
0,
6.1774282
]
] |
agm005802319
|
[
[
2.30542567,
2.30542567,
0
],
[
0,
0,
3.0887141
],
[
-0.00000675,
2.30543242,
4.665210702793267
],
[
-0.00000675,
2.30543242,
1.512217497206732
],
[
2.30543242,
-0.00000675,
4.665210702793267
],
[
2.30543242,
-0.00000675,
1.512217497206732
],
[
2.30542567,
2.30542567,
3.0887141
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Tm",
"Cd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.7142857142857143,
0.14285714285714285
] |
[
[
7.3237195,
-0.00004289,
0
],
[
-0.00004289,
7.3237195,
0
],
[
0,
0,
7.3421707
]
] | -33.916104
|
[
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00941801
],
[
0,
0,
0.00941801
],
[
0,
0,
-0.00941801
],
[
0,
0,
0.00941801
],
[
0,
0,
0
]
] | 0
| 2.115925
|
pbe
| true
|
54adcf96c1db615a58d46a948d3454a0_123_Tm1Cd1Pd5
|
[
"Cd",
"Pd",
"Y"
] | 11
|
A5B4C2
|
Cd5Pd2Y4
|
Y4 Cd5 Pd2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.58567774,
0,
0
],
[
0,
7.65803861,
-0.54212476
],
[
0,
0.05487914,
9.77984174
]
] |
agm005679391
|
[
[
1.79283887,
5.8990120493646625,
5.004359297341205
],
[
1.79283887,
1.3273030550577232,
8.303342749449156
],
[
1.79283887,
1.8139057006353376,
4.233357682658795
],
[
1.79283887,
6.3856146949422765,
0.9343742305508438
],
[
0,
4.232437940186743,
2.777255655040309
],
[
0,
1.4564051220143808,
1.3858945983026891
],
[
0,
3.829019305,
-0.27106238
],
[
0,
6.256512627985619,
7.851822381697311
],
[
0,
3.4804798098132577,
6.460461324959692
],
[
0,
0.5466866132633286,
6.209889832866938
],
[
0,
7.166231136736672,
3.027827147133063
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"Y",
"Y",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.45454545454545453,
0.18181818181818182,
0.36363636363636365
] |
[
[
4.351493,
0,
0
],
[
0,
4.2748938,
-0.00258029
],
[
0,
-0.00258034,
3.9947186
]
] | -46.423372
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0.00401286,
-0.00309146
],
[
0,
0.00043841,
-0.0031373
],
[
0,
-0.00401286,
0.00309146
],
[
0,
-0.00043841,
0.0031373
],
[
0,
0.00097697,
-0.00604782
],
[
0,
-0.00262567,
0.00413548
],
[
0,
0,
0
],
[
0,
0.00262567,
-0.00413548
],
[
0,
-0.00097697,
0.00604782
],
[
0,
0.00163425,
-0.00097583
],
[
0,
-0.00163425,
0.00097583
]
] | 0
| 8.483303
|
pbe
| true
|
d1a0df87101feaeafd9712fcb2c4ee95_10_Y4Cd5Pd2
|
[
"Cd",
"Pr",
"Rh"
] | 10
|
A2B2C
|
CdPr2Rh2
|
Cd2 Pr4 Rh4
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
0,
4.04880695
],
[
7.58526832,
0,
0
],
[
0,
7.58526832,
0
]
] |
mp-1205724
|
[
[
1.3157071917539087,
5.108341351753909,
2.024403475
],
[
6.2695611282460915,
2.476926968246091,
2.024403475
],
[
2.476926968246091,
1.3157071917539087,
2.024403475
],
[
5.108341351753909,
6.2695611282460915,
2.024403475
],
[
0,
0,
0
],
[
3.79263416,
3.79263416,
0
],
[
4.760851031840041,
0.9682168718400416,
0
],
[
2.8244172881599585,
6.617051448159958,
0
],
[
6.617051448159958,
4.760851031840041,
0
],
[
0.9682168718400416,
2.8244172881599585,
0
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Pr",
"Pr",
"Pr",
"Pr",
"Cd",
"Cd",
"Rh",
"Rh",
"Rh",
"Rh"
] |
2019-01-12 09:10:54
|
[
0.2,
0.4,
0.4
] |
[
[
5.64219338,
0,
0
],
[
0,
5.64219338,
0
],
[
0,
0,
2.70155617
]
] | -56.094626
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
-0.02573213,
-0.02573213,
0
],
[
0.02573213,
0.02573213,
0
],
[
0.02573213,
-0.02573213,
0
],
[
-0.02573213,
0.02573213,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.06518724,
0.06518724,
0
],
[
-0.06518724,
-0.06518724,
0
],
[
-0.06518724,
0.06518724,
0
],
[
0.06518724,
-0.06518724,
0
]
] | 0
| 4.24174
|
pbe
| true
|
2de53d819afc998bcb67dc3b7ca94c85_127_Pr4Cd2Rh4
|
[
"Ce",
"Mg"
] | 16
|
A3B
|
Ce3Mg
|
Ce12 Mg4
| 2
|
[
1,
1,
1
] | 3
|
[
[
7.51942641,
0,
0
],
[
0,
7.51942641,
0
],
[
0,
0,
7.51942641
]
] |
mp-1039189
|
[
[
0,
0,
0
],
[
1.8798566025,
1.8798566025,
1.8798566025
],
[
1.8798566025,
1.8798566025,
5.6395698075
],
[
0,
3.759713205,
3.759713205
],
[
1.8798566025,
5.6395698075,
5.6395698075
],
[
1.8798566025,
5.6395698075,
1.8798566025
],
[
3.759713205,
0,
3.759713205
],
[
5.6395698075,
1.8798566025,
5.6395698075
],
[
5.6395698075,
1.8798566025,
1.8798566025
],
[
3.759713205,
3.759713205,
0
],
[
5.6395698075,
5.6395698075,
1.8798566025
],
[
5.6395698075,
5.6395698075,
5.6395698075
],
[
3.759713205,
0,
0
],
[
3.759713205,
3.759713205,
3.759713205
],
[
0,
0,
3.759713205
],
[
0,
3.759713205,
0
]
] |
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Mg",
"Mg",
"Mg",
"Mg"
] |
2018-05-03 15:04:00
|
[
0.75,
0.25
] |
[
[
18.11786228,
0,
0
],
[
0,
18.11786228,
0
],
[
0,
0,
18.11786228
]
] | -74.330248
|
[
-0.025,
-0.061,
-0.061,
-0.025,
-0.061,
-0.061,
-0.025,
-0.061,
-0.061,
-0.025,
-0.061,
-0.061,
-0.001,
-0.001,
-0.001,
-0.001
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.592
| 7.612024
|
pbe
| true
|
17b683c4aed0a08f0e7e7340650cc430_225_Ce12Mg4
|
[
"Ce",
"Os"
] | 4
|
A3B
|
Ce3Os
|
Ce3 Os1
| 2
|
[
1,
1,
1
] | 3
|
[
[
5.00520169,
0,
0
],
[
2.50260084,
4.33463181,
0
],
[
2.50260084,
1.44487727,
4.08673006
]
] |
agm001416237
|
[
[
5.005201684999999,
2.88975454,
2.04336503
],
[
0,
0,
0
],
[
7.507802527499999,
4.33463181,
3.0650475449999997
],
[
2.5026008424999997,
1.44487727,
1.021682515
]
] |
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"Os",
"Ce",
"Ce",
"Ce"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
4.9679856,
0,
0
],
[
0,
4.9679856,
0
],
[
0,
0,
4.9679856
]
] | -28.769516
|
[
-0.029,
0.465,
0.482,
0.482
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.753378
| 13.32185
|
pbe
| true
|
6c2f59dea400233292f72d6967091c47_225_Ce3Os1
|
[
"K",
"Pt",
"S",
"Tb"
] | 12
|
A3BCD
|
KPtS3Tb
|
K1 Pt1 S3 Tb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
1.959677951,
-7.429058905,
0
],
[
1.959677951,
7.429058905,
0
],
[
0,
0,
10.16632692
]
] |
oqmd-4924570
|
[
[
1.9596800000000016,
3.763010000000001,
2.541580000000001
],
[
1.9596800000000012,
-3.76301,
7.624749999999999
],
[
1.9596799999999992,
-0.17362999999999962,
2.541580000000001
],
[
1.9596799999999992,
0.1736299999999995,
7.624749999999999
],
[
1.9596799999999992,
-1.7979700000000027,
0.7712099999999995
],
[
1.9596800000000003,
-6.20705,
2.541580000000001
],
[
1.9596799999999992,
-1.7979700000000027,
4.3119600000000045
],
[
1.9596799999999992,
1.7979700000000027,
5.854369999999997
],
[
1.9596800000000003,
6.207049999999999,
7.624749999999999
],
[
1.9596799999999992,
1.7979700000000027,
9.395120000000006
],
[
0,
0,
0
],
[
0,
0,
5.083160000000002
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}]
|
[
"K",
"K",
"Pt",
"Pt",
"S",
"S",
"S",
"S",
"S",
"S",
"Tb",
"Tb"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] |
[
[
2.92377735,
0,
0
],
[
0,
3.73100833,
0
],
[
0,
0,
2.38848025
]
] | -62.4781
|
[
0,
0,
0.003,
0.001,
0.001,
0,
0,
0,
0,
0,
0,
0.001
] |
[
[
0,
0.015859,
0
],
[
0,
-0.015859,
0
],
[
0,
0.008577,
0
],
[
0,
-0.008577,
0
],
[
0,
0.018036,
0.008777
],
[
0,
0.004863,
0
],
[
0,
0.018036,
-0.008777
],
[
0,
-0.018036,
0.008777
],
[
0,
-0.004863,
0
],
[
0,
-0.018036,
-0.008777
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.034986
| null |
pbe
| true
|
4359491112c72a435dc58970b0c04a6e_63_K2Tb2Pt2S6
|
[
"Cd",
"Pr",
"U"
] | 3
|
ABC
|
CdPrU
|
Cd1 Pr1 U1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.587800685,
3.587800685
],
[
3.587800685,
0,
3.587800685
],
[
3.587800685,
3.587800685,
0
]
] |
oqmd-6951294
|
[
[
0,
0,
0
],
[
3.5878000000000005,
3.5878000000000005,
3.5878000000000005
],
[
1.7939000000000005,
1.7939000000000005,
1.7939000000000005
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
|
[
"Cd",
"Pr",
"U"
] |
2024-11-01 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
7.32701435,
0,
0
],
[
0,
7.32701435,
0
],
[
0,
0,
7.32701435
]
] | -14.1214
|
[
-0.011,
0.3,
2.651
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.20966
| null |
pbe
| true
|
c77f974fa974bd72fe84702b48f18123_216_Pr1U1Cd1
|
[
"K",
"Pu",
"S",
"U"
] | 20
|
A6B2CD
|
K2PuS6U
|
K4 Pu2 U2 S12
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.30597188,
-0.00000123,
-0.0252936
],
[
-0.00000119,
7.30684172,
0.00002246
],
[
0.03131383,
0.00003187,
10.34516578
]
] |
agm004970932
|
[
[
0.0172009398394382,
7.2260755450496434,
2.5858064600558084
],
[
3.68584096645187,
3.7342412299181644,
7.746564623031622
],
[
7.320083580160562,
0.0807968149503574,
7.734088179944192
],
[
3.6514435535481304,
3.5726311300818363,
2.5733300169683786
],
[
3.65298594,
-6.15e-7,
-0.0126468
],
[
0.01565632,
3.653436795,
5.17259412
],
[
3.6686428550000003,
0.00001532,
5.15993609
],
[
-5.95e-7,
3.65342086,
0.00001123
],
[
1.944808327672572,
5.298164971746837,
0.16415730141551302
],
[
5.613893142152559,
5.662611945424885,
5.324167881113252
],
[
5.392476192327428,
2.0087073882531636,
10.155737338584487
],
[
1.723391377847441,
1.644260414575115,
4.9957267588867476
],
[
2.025721874185396,
5.36041776517211,
4.994200821636411
],
[
5.6938414191354125,
5.599436443836805,
10.154181976957315
],
[
5.311562645814605,
1.9464545948278904,
5.3256938183635905
],
[
1.643443100864587,
1.7074359161631958,
0.165712663042686
],
[
7.076013257812513,
3.673406597374374,
2.517214748010473
],
[
3.438646096026583,
7.286883913199445,
7.702529540431459
],
[
0.2612712621874869,
3.633465762625626,
7.802679891989528
],
[
3.8986384239734173,
0.0199884468005544,
2.617365099568542
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
|
[
"K",
"K",
"K",
"K",
"Pu",
"Pu",
"U",
"U",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.2,
0.1,
0.6,
0.1
] |
[
[
0.36192435,
0.00027299,
0.00869108
],
[
0.00027296,
0.32123044,
-0.00059603
],
[
0.00869113,
-0.00059602,
0.34283718
]
] | -131.118271
|
[
0,
0,
0,
0,
4.46,
4.46,
0.449,
0.449,
-0.122,
-0.122,
-0.122,
-0.122,
-0.123,
-0.123,
-0.123,
-0.123,
-0.123,
-0.123,
-0.123,
-0.123
] |
[
[
0.00085293,
-0.00106331,
-0.00014442
],
[
0.00087427,
0.0010446,
-0.0003986
],
[
-0.00085293,
0.00106331,
0.00014442
],
[
-0.00087427,
-0.0010446,
0.0003986
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00074668,
0.0001387,
-0.00030906
],
[
-0.0001657,
-0.00069947,
-0.00036813
],
[
0.00074668,
-0.0001387,
0.00030906
],
[
0.0001657,
0.00069947,
0.00036813
],
[
-0.00092615,
-0.00040012,
-0.00050216
],
[
-0.00028488,
-0.00018782,
-0.00055002
],
[
0.00092615,
0.00040012,
0.00050216
],
[
0.00028488,
0.00018782,
0.00055002
],
[
-0.00001059,
0.00060721,
-0.00011448
],
[
-0.00005589,
-0.00060697,
-0.0002787
],
[
0.00001059,
-0.00060721,
0.00011448
],
[
0.00005589,
0.00060697,
0.0002787
]
] | 7.999996
| 19.004187
|
pbe
| true
|
075a9ab8c22260efb0c7f3ed119640df_14_K4Pu2U2S12
|
[
"Cl",
"Co"
] | 12
|
A2B
|
Cl2Co
|
Co4 Cl8
| 2
|
[
1,
1,
1
] | 3
|
[
[
6.59963652,
0,
0
],
[
0,
13.55679402,
0
],
[
0,
0,
16.9701274
]
] |
agm2000030871
|
[
[
0,
11.34221688333001,
8.485060815078342
],
[
3.29981826,
11.34221688333001,
8.485060815078342
],
[
3.29981826,
4.56381987333001,
8.485060815078342
],
[
0,
4.56381987333001,
8.485060815078342
],
[
1.64990913,
3.4358199129309592,
9.470133267122197
],
[
4.94972739,
3.4358199129309592,
7.500006011966981
],
[
4.94972739,
10.21421692293096,
9.470133267122197
],
[
1.64990913,
10.21421692293096,
7.500006011966981
],
[
0,
13.43399047920953,
8.485060815078342
],
[
3.29981826,
13.43399047920953,
8.485060815078342
],
[
3.29981826,
6.655593469209531,
8.485060815078342
],
[
0,
6.655593469209531,
8.485060815078342
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}]
|
[
"Co",
"Co",
"Co",
"Co",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.6666666666666666,
0.3333333333333333
] |
[
[
0.17628694,
0,
0
],
[
0,
0.04627562,
0
],
[
0,
0,
-0.09828524
]
] | -46.614034
|
[
2.393,
2.393,
2.393,
2.393,
0.161,
0.161,
0.161,
0.161,
0.256,
0.256,
0.256,
0.256
] |
[
[
0,
-0.00070097,
0
],
[
0,
-0.00070097,
0
],
[
0,
-0.00070097,
0
],
[
0,
-0.00070097,
0
],
[
0,
-0.00055443,
0.00451479
],
[
0,
-0.00055443,
-0.00451479
],
[
0,
-0.00055443,
0.00451479
],
[
0,
-0.00055443,
-0.00451479
],
[
0,
0.0012554,
0
],
[
0,
0.0012554,
0
],
[
0,
0.0012554,
0
],
[
0,
0.0012554,
0
]
] | 12.000011
| 3.085911
|
pbe
| true
|
d4354ad4ecc4db4dffca83a559cc6b3d_39_Co4Cl8
|
[
"K",
"Rb",
"Sb",
"Zn"
] | 6
|
A2B2CD
|
KRbSb2Zn2
|
K1 Rb1 Sb2 Zn2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.579908007,
0,
0
],
[
-2.289954004,
3.966316681,
0
],
[
0,
0,
10.969156642
]
] |
oqmd-6362216
|
[
[
0,
0,
5.48458
],
[
0,
0,
0
],
[
-2.1701500184315126e-16,
2.6442099999999997,
2.81293
],
[
2.2899499999999997,
1.32211,
8.15623
],
[
2.2899499999999997,
1.32211,
2.81415
],
[
-2.1701500184315126e-16,
2.6442099999999997,
8.15501
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"K",
"Rb",
"Sb",
"Sb",
"Zn",
"Zn"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.3333333333333333
] |
[
[
4.45367585,
0,
0
],
[
0,
4.45367585,
0
],
[
0,
0,
3.55471383
]
] | -15.2586
|
[
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.013703
],
[
0,
0,
-0.013703
],
[
0,
0,
0.050396
],
[
0,
0,
-0.050396
]
] | null | null |
pbe
| true
|
d93f03bbdf86a8ffea314f3d8b26e306_164_K1Rb1Zn2Sb2
|
[
"Hg",
"In",
"Tl"
] | 9
|
A4B4C
|
Hg4In4Tl
|
Tl1 In4 Hg4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.48087048,
-0.00002029,
1.51748033
],
[
2.24040544,
7.15929437,
0.75872971
],
[
-0.05600511,
-0.00000965,
7.53974429
]
] |
agm006023414
|
[
[
0,
0,
0
],
[
1.4748581850912807,
4.77112781315366,
3.019325077841787
],
[
5.19041262490872,
2.388136616846339,
6.796629252158213
],
[
3.7148159653163204,
2.386683020362429,
3.7794488956727883
],
[
2.9504548446836796,
4.77258140963757,
6.0365054343272115
],
[
2.1849766727987365,
2.436228672621637,
8.296851779086284
],
[
4.4802941372012635,
4.723035757378362,
1.5191025509137153
],
[
5.206294043120381,
7.157552808599224,
6.749697993405429
],
[
1.4589767668796194,
0.0017116214007745,
3.06625633659457
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
|
[
"Tl",
"In",
"In",
"In",
"In",
"Hg",
"Hg",
"Hg",
"Hg"
] |
2023-11-16 06:57:59
|
[
0.4444444444444444,
0.4444444444444444,
0.1111111111111111
] |
[
[
5.408826,
-0.00004358,
0.09920162
],
[
-0.00004345,
5.1158934,
-0.00001482
],
[
0.09920162,
-0.00001443,
5.14949
]
] | -14.356375
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
-0.0006386,
-0.00186038,
0.00188572
],
[
0.0006386,
0.00186038,
-0.00188572
],
[
-0.00059675,
0.00199091,
0.00176207
],
[
0.00059675,
-0.00199091,
-0.00176207
],
[
-0.00011715,
0.00540662,
0.00034585
],
[
0.00011715,
-0.00540662,
-0.00034585
],
[
0.00173424,
0.00036515,
-0.00512094
],
[
-0.00173424,
-0.00036515,
0.00512094
]
] | 0
| 5.111201
|
pbe
| true
|
b37925e281dd4c3e2becc6205649d4d7_139_Tl1In4Hg4
|
[
"Hg",
"K",
"Pb"
] | 11
|
A6B3C2
|
Hg6K2Pb3
|
K2 Hg6 Pb3
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.59268979,
0,
0
],
[
0,
9.08192368,
-0.9546425
],
[
0,
0.04800776,
9.131833
]
] |
agm005609439
|
[
[
0,
2.7085597778863946,
6.16129475473297
],
[
0,
6.421371662113604,
2.0158957452670303
],
[
2.296344895,
3.4903051367200293,
3.126079335168395
],
[
2.296344895,
5.639626303279969,
5.051111164831605
],
[
2.296344895,
0.23716198003885197,
3.165288526297675
],
[
2.296344895,
8.892769459961146,
5.011901973702326
],
[
2.296344895,
3.17219453685402,
-0.11171053348752498
],
[
2.296344895,
5.95773690314598,
8.288901033487525
],
[
0,
1.8139057453172207,
1.6246182050742102
],
[
0,
7.316025694682779,
6.55257229492579
],
[
2.296344895,
0,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
|
[
"K",
"K",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Pb",
"Pb",
"Pb"
] |
2023-11-16 06:57:59
|
[
0.5454545454545454,
0.18181818181818182,
0.2727272727272727
] |
[
[
5.1789074,
0,
0
],
[
0,
5.1420245,
-0.05744319
],
[
0,
-0.05744319,
5.1547117
]
] | -16.074221
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0.00021064,
-0.00023518
],
[
0,
-0.00021064,
0.00023518
],
[
0,
0.00078872,
0.00070641
],
[
0,
-0.00078872,
-0.00070641
],
[
0,
-0.00028596,
0.00229815
],
[
0,
0.00028596,
-0.00229815
],
[
0,
0.00225288,
-0.00053649
],
[
0,
-0.00225288,
0.00053649
],
[
0,
0.00265854,
0.00238111
],
[
0,
-0.00265854,
-0.00238111
],
[
0,
0,
0
]
] | 0
| 3.48607
|
pbe
| true
|
7b8af8f2890a7b9f50075f65c01f657f_65_K2Hg6Pb3
|
[
"Hg",
"K",
"Pt"
] | 3
|
ABC
|
HgKPt
|
Hg1 K1 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.512032,
3.512032
],
[
3.512032,
0,
3.512032
],
[
3.512032,
3.512032,
0
]
] |
oqmd-3627586
|
[
[
0,
0,
0
],
[
1.7560099999999987,
1.7560099999999987,
1.7560099999999987
],
[
5.268050000000003,
5.268050000000003,
5.268050000000003
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Hg",
"K",
"Pt"
] |
2024-11-01 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
-0.42137,
0,
0
],
[
0,
-0.42137,
0
],
[
0,
0,
-0.42137
]
] | -6.80048
|
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.001381
| null |
pbe
| true
|
4d669d9028ba1ff14613596ed4376742_216_K1Hg1Pt1
|
[
"Cd",
"Pt",
"Pu"
] | 12
|
A7B4C
|
CdPt4Pu7
|
Pu7 Cd1 Pt4
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.59752746,
0,
0
],
[
2.79876373,
9.04910069,
-1.88357639
],
[
2.79876373,
-1.02645939,
5.80372221
]
] |
agm003664798
|
[
[
8.396291190000001,
7.768196454792221,
0.9121901557376365
],
[
2.79876373,
0.2544448452077776,
3.007955664262364
],
[
2.79876373,
5.265588313234453,
-0.4117649561858534
],
[
8.396291190000001,
2.757052986765546,
4.331910776185854
],
[
5.59752746,
5.508259785723832,
2.2386071226489537
],
[
2.79876373,
0,
0
],
[
5.59752746,
2.514381514276167,
1.6815386973510467
],
[
0,
0,
0
],
[
5.59752746,
1.3910441134483604,
4.1941719012392635
],
[
5.59752746,
6.631597186551639,
-0.274026081239263
],
[
8.396291217987638,
5.261528837270043,
2.653717905335452
],
[
2.7987637020123626,
2.7611124627299573,
1.266427914664548
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
|
[
"Pu",
"Pu",
"Pu",
"Pu",
"Pu",
"Pu",
"Pu",
"Cd",
"Pt",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.08333333333333333,
0.3333333333333333,
0.5833333333333334
] |
[
[
4.5765996,
0,
0
],
[
0,
4.5981903,
0.07664233
],
[
0,
0.07664245,
4.5589643
]
] | -128.864966
|
[
5.233,
5.233,
-5.155,
-5.155,
-5.325,
5.271,
-5.325,
0.014,
0.023,
0.023,
0.078,
0.078
] |
[
[
0,
0.00502124,
0.00775934
],
[
0,
-0.00502124,
-0.00775934
],
[
0,
0.00631595,
0.00463883
],
[
0,
-0.00631595,
-0.00463883
],
[
0,
0.00104552,
0.00755424
],
[
0,
0,
0
],
[
0,
-0.00104552,
-0.00755424
],
[
0,
0,
0
],
[
0,
-0.00609472,
0.00276205
],
[
0,
0.00609472,
-0.00276205
],
[
0,
0.00396506,
0.0017354
],
[
0,
-0.00396506,
-0.0017354
]
] | -5.446248
| 49.3414
|
pbe
| true
|
aa76e7a813a052fe7cc6ea9b2f16d5d8_12_Pu7Cd1Pt4
|
[
"I",
"Sn"
] | 4
|
AB
|
ISn
|
Sn2 I2
| 2
|
[
1,
1,
1
] | 3
|
[
[
4.27754407,
0.01478946,
0.00790799
],
[
2.13554922,
4.72315882,
0.00294336
],
[
2.14599619,
0.11714953,
8.87971362
]
] |
agm002025233
|
[
[
5.11379306198141,
0.7858809401014603,
5.238883233861335
],
[
2.96567982802454,
2.3817528005702298,
1.7083624679309013
],
[
2.9771124244126606,
0.24641855687195502,
7.33612246911264
],
[
7.252431421901523,
3.018652526498938,
8.486626029741538
]
] |
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
"I",
"Sn",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
1.4920785,
-0.06414029,
-0.04909213
],
[
-0.06414002,
1.3080492,
0.03108852
],
[
-0.04909203,
0.03108839,
1.3649857
]
] | -11.941904
|
[
0,
0,
0,
0
] |
[
[
0.00179375,
-0.00130755,
-0.00105277
],
[
0.00142146,
-0.00049357,
-0.00119987
],
[
-0.00160226,
0.00096766,
0.00044994
],
[
-0.00161295,
0.00083346,
0.0018027
]
] | 0
| 0.091083
|
pbe
| true
|
889e393e825d536a33eac28d33368d82_1_Sn2I2
|
[
"In",
"Re"
] | 4
|
A3B
|
In3Re
|
In3 Re1
| 2
|
[
1,
1,
1
] | 3
|
[
[
10.41208965,
-0.06553808,
-0.03836493
],
[
9.96780569,
3.00977669,
-0.03836493
],
[
9.96780569,
1.44002695,
2.64320828
]
] |
agm004431384
|
[
[
22.429687513371874,
3.240367578065545,
1.8968589717391315
],
[
15.173850515000002,
2.1921327799999997,
1.28323921
],
[
7.918013516628125,
1.1438979819344548,
0.6696194482608686
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"In",
"In",
"In",
"Re"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
7.492406,
0.0972831,
0.05694796
],
[
0.0972831,
6.8330708,
0.00822715
],
[
0.05694796,
0.00822715,
6.8238325
]
] | -18.739048
|
[
0,
0,
0,
0.001
] |
[
[
-0.00498601,
-0.00072032,
-0.00042166
],
[
0,
0,
0
],
[
0.00498601,
0.00072032,
0.00042166
],
[
0,
0,
0
]
] | 0.000572
| 3.129007
|
pbe
| true
|
1d8315fd832a92605c111f0577580b38_166_In3Re1
|
[
"Hg",
"Li",
"Mg"
] | 4
|
A2BC
|
HgLi2Mg
|
Hg1 Li2 Mg1
| 3
|
[
1,
1,
1
] | 3
|
[
[
-3.36453075,
0,
-3.36453075
],
[
3.36453075,
-3.36453075,
0
],
[
-3.36453075,
-3.36453075,
0
]
] |
mp-1222646
|
[
[
0,
-3.36453075,
0
],
[
-1.682265375,
-1.682265375,
-1.682265375
],
[
-1.682265375,
-5.046796125,
-1.682265375
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Li",
"Li",
"Mg",
"Hg"
] |
2019-01-12 23:09:10
|
[
0.25,
0.5,
0.25
] |
[
[
-0.61980145,
0,
0
],
[
0,
-0.61980145,
0
],
[
0,
0,
-0.61980145
]
] | -6.845087
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 2.103444
|
pbe
| true
|
01c7b571c47542d130c2fd939b0954d9_216_Li2Mg1Hg1
|
[
"Cd",
"Pt",
"Tl"
] | 4
|
A2BC
|
CdPt2Tl
|
Cd1 Pt2 Tl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.337901,
3.337901
],
[
3.337901,
0,
3.337901
],
[
3.337901,
3.337901,
0
]
] |
oqmd-3325281
|
[
[
1.6689500000000008,
1.6689500000000008,
1.6689500000000008
],
[
0,
0,
0
],
[
5.006849999999999,
5.006849999999999,
5.006850000000003
],
[
3.3379000000000016,
3.3379000000000016,
3.3379000000000016
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
|
[
"Cd",
"Pt",
"Pt",
"Tl"
] |
2024-11-01 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
8.60295,
0,
0
],
[
0,
8.60295,
0
],
[
0,
0,
8.60295
]
] | -15.1704
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00091
| null |
pbe
| true
|
e51ff427f3778ce7a21a723cd2c5377c_216_Tl1Cd1Pt2
|
[
"In",
"Sr"
] | 4
|
A3B
|
In3Sr
|
Sr1 In3
| 2
|
[
1,
1,
1
] | 3
|
[
[
4.49382056,
0,
0
],
[
-2.24691028,
3.89176276,
0
],
[
0,
0,
7.78546547
]
] |
agm004063582
|
[
[
0,
0,
0.387917045415126
],
[
0,
0,
3.5048156895848743
],
[
2.246910302469103,
1.2972542403607907,
1.9463663675
],
[
2.246910302469103,
1.2972542403607907,
5.8390991025000005
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"In",
"In",
"In",
"Sr"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
2.9868662,
0,
0
],
[
0,
2.9868662,
0
],
[
0,
0,
2.685588
]
] | -10.56246
|
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00237066
],
[
0,
0,
0.00237066
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0
| 1.885227
|
pbe
| true
|
9cb6d963cc151af07ff20b4e4831b5e6_187_Sr1In3
|
[
"Be",
"Cl",
"Pd"
] | 4
|
A2BC
|
BeClPd2
|
Be1 Pd2 Cl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.06380679,
3.06380679
],
[
3.06380679,
0,
3.06380679
],
[
3.06380679,
3.06380679,
0
]
] |
agm002644890
|
[
[
0,
0,
0
],
[
1.531903395,
1.531903395,
1.531903395
],
[
4.595710185,
4.595710185,
4.595710185
],
[
3.06380679,
3.06380679,
3.06380679
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Be",
"Pd",
"Pd",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
4.597447,
0,
0
],
[
0,
4.597447,
0
],
[
0,
0,
4.597447
]
] | -15.245001
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 1.291617
|
pbe
| true
|
58d48cd04fdb54f3c35e9c12fda2e74a_225_Be1Pd2Cl1
|
[
"Cd",
"Pt",
"W"
] | 4
|
A2BC
|
CdPtW2
|
Cd1 Pt1 W2
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.41926728,
0.01047951,
0.00971984
],
[
2.38277252,
4.86733631,
-0.00971984
],
[
-3.30799556,
-3.38744723,
2.63648037
]
] |
agm003810420
|
[
[
4.4341439233947035,
1.4529190614856335,
2.63648037
],
[
3.2140288198590596,
-0.3390619658208458,
1.323100105
],
[
1.363724363379518,
1.8817651783133662,
1.3133802650000002
],
[
3.877211351387116,
2.4240228648000044,
-7.616650315149798e-20
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"W",
"W",
"Pt",
"Cd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
6.507415,
0.13870052,
-0.08902707
],
[
0.13870052,
6.372279,
0.142398
],
[
-0.08902707,
0.142398,
6.4267325
]
] | -31.334525
|
[
0,
0,
0,
0
] |
[
[
0.00922317,
0.0057663,
0
],
[
-0.00946895,
-0.00591996,
0
],
[
0.00003651,
0.00002283,
0
],
[
0.00020928,
0.00013084,
0
]
] | -0.000009
| 2.544204
|
pbe
| true
|
60ed40b55345fa89ef3eb8b13da9d9d8_44_Cd1Pt1W2
|
[
"Cd",
"Pt",
"Y"
] | 16
|
A12B3C
|
CdPt12Y3
|
Y3 Cd1 Pt12
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.11373561,
0,
0
],
[
0,
4.11373561,
0
],
[
0,
0,
16.3698585
]
] |
agm005870654
|
[
[
0,
0,
4.04583639265143
],
[
0,
0,
8.18492925
],
[
0,
0,
12.324022107348569
],
[
0,
0,
0
],
[
2.056867805,
2.056867805,
0
],
[
2.056867805,
2.056867805,
4.042958735225715
],
[
2.056867805,
2.056867805,
8.18492925
],
[
2.056867805,
2.056867805,
12.326899764774284
],
[
2.056867805,
0,
1.9803108923205
],
[
2.056867805,
0,
6.117224594105549
],
[
2.056867805,
0,
10.25263390589445
],
[
2.056867805,
0,
14.3895476076795
],
[
0,
2.056867805,
1.9803108923205
],
[
0,
2.056867805,
6.117224594105549
],
[
0,
2.056867805,
10.25263390589445
],
[
0,
2.056867805,
14.3895476076795
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"Y",
"Cd",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.0625,
0.75,
0.1875
] |
[
[
6.210906,
0,
0
],
[
0,
6.210906,
0
],
[
0,
0,
5.847373
]
] | -105.476883
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0.00214363
],
[
0,
0,
0
],
[
0,
0,
-0.00214363
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00582259
],
[
0,
0,
0
],
[
0,
0,
-0.00582259
],
[
0,
0,
-0.00241826
],
[
0,
0,
0.00426613
],
[
0,
0,
-0.00426613
],
[
0,
0,
0.00241826
],
[
0,
0,
-0.00241826
],
[
0,
0,
0.00426613
],
[
0,
0,
-0.00426613
],
[
0,
0,
0.00241826
]
] | 0.000116
| 15.708858
|
pbe
| true
|
590f519429b7374252820ac460355d98_123_Y3Cd1Pt12
|
[
"Cd",
"Pt",
"Zn"
] | 3
|
ABC
|
CdPtZn
|
Zn1 Cd1 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.45379573,
0,
0
],
[
-2.22689786,
3.85710024,
0
],
[
0,
0,
2.9561472
]
] |
agm003159267
|
[
[
-1.8935645142904763e-8,
2.571400172857001,
1.477847661669504
],
[
2.2268978889356457,
1.285700067142999,
1.478607864483456
],
[
0,
0,
2.9558388738470405
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Zn",
"Pt",
"Cd"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
7.5011287,
0,
0
],
[
0,
7.5011287,
0
],
[
0,
0,
6.7455015
]
] | -9.178485
|
[
0,
0,
0
] |
[
[
0,
0,
-0.00022784
],
[
0,
0,
-0.0015544
],
[
0,
0,
0.00178224
]
] | 0.000002
| 1.25332
|
pbe
| true
|
86289b5154e6eba414f2275b35e2be5f_187_Zn1Cd1Pt1
|
[
"K",
"S",
"Sn",
"Tb"
] | 12
|
A3BCD
|
KS3SnTb
|
K1 S3 Sn1 Tb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
1.991485054,
-8.212865484,
0
],
[
1.991485054,
8.212865484,
0
],
[
0,
0,
11.277251235
]
] |
oqmd-7486282
|
[
[
1.99149,
-2.857989999999999,
2.81931
],
[
1.99149,
2.857989999999999,
8.45794
],
[
1.99149,
1.8562900000000004,
0.04950999999999999
],
[
1.99149,
-7.989469999999997,
2.81931
],
[
1.99149,
1.8562900000000004,
5.58911
],
[
1.99149,
-1.85629,
5.68814
],
[
1.99149,
7.989469999999998,
8.45794
],
[
1.99149,
-1.85629,
11.22774
],
[
1.99149,
2.0032199999999993,
2.81931
],
[
1.99149,
-2.003219999999999,
8.45794
],
[
0,
0,
0
],
[
0,
0,
5.63863
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}]
|
[
"K",
"K",
"S",
"S",
"S",
"S",
"S",
"S",
"Sn",
"Sn",
"Tb",
"Tb"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.5,
0.16666666666666666,
0.16666666666666666
] |
[
[
3.39494619,
0,
0
],
[
0,
4.00187491,
0
],
[
0,
0,
3.97091765
]
] | -59.4108
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0.007924,
0
],
[
0,
-0.007924,
0
],
[
0,
0.006606,
-0.014842
],
[
0,
0.023259,
0
],
[
0,
0.006606,
0.014842
],
[
0,
-0.006606,
-0.014842
],
[
0,
-0.023259,
0
],
[
0,
-0.006606,
0.014842
],
[
0,
-0.019366,
0
],
[
0,
0.019366,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00636
| null |
pbe
| true
|
8844e7c0210436170d1bc83eb71766a3_63_K2Tb2Sn2S6
|
[
"O",
"Pm",
"Se",
"Tb"
] | 7
|
A2B2C2D
|
O2Pm2Se2Tb
|
Tb1 Pm2 Se2 O2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.33779572,
0,
0
],
[
0,
4.33779572,
0
],
[
-2.16889786,
-2.16889786,
7.76816264
]
] |
agm004540350
|
[
[
0,
0,
0
],
[
-0.0000021905868384515433,
0.0000021472088812817074,
5.7941688082047555
],
[
2.1689000505868385,
2.1688957127911186,
1.9739938317952441
],
[
-2.1688978558987128e-8,
-2.1688978558987128e-8,
2.822294903494063
],
[
2.1688978816889786,
2.1688978816889786,
4.945867736505937
],
[
0,
2.16889786,
0
],
[
2.16889786,
0,
0
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"Tb",
"Pm",
"Pm",
"Se",
"Se",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.2857142857142857,
0.2857142857142857,
0.2857142857142857,
0.14285714285714285
] |
[
[
-0.13301659,
0,
0
],
[
0,
-0.13301659,
0
],
[
0,
0,
-0.05189338
]
] | -47.272241
|
[
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.00027636
],
[
0,
0,
0.00027636
],
[
0,
0,
0.00012233
],
[
0,
0,
-0.00012233
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000124
| 2.908105
|
pbe
| true
|
c931e4dcac4f85a9ab357948371fd247_139_Tb1Pm2Se2O2
|
[
"O",
"Pm",
"Te",
"Tl"
] | 12
|
A8B2CD
|
O8PmTe2Tl
|
Pm1 Tl1 Te2 O8
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.09463263,
0.00005641,
0
],
[
-3.04736517,
5.27807848,
0
],
[
0,
0,
7.92595617
]
] |
agm004874573
|
[
[
0,
0,
3.962978085
],
[
0,
0,
0
],
[
3.0473000604733262,
1.7593970824065928,
1.824236249117281
],
[
-0.000032600473325844874,
3.5187378075934066,
6.1017199208827195
],
[
-0.000032600473325844874,
3.5187378075934066,
7.919576330100082
],
[
1.5387325139185233,
0.9334914287554709,
2.4974074422662444
],
[
4.51683911146931,
0.8658920900812982,
2.4974074422662444
],
[
3.0473000604733262,
1.7593970824065928,
0.0063798398999181
],
[
-1.4695716514693105,
4.412242799918701,
5.428548727733756
],
[
1.5085349460814772,
4.344643461244528,
5.428548727733756
],
[
-0.039061096032144235,
1.7993271616169897,
5.428548727733756
],
[
3.0863285560321447,
3.47880772838301,
2.4974074422662444
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"Pm",
"Tl",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.6666666666666666,
0.08333333333333333,
0.16666666666666666,
0.08333333333333333
] |
[
[
0.6531836,
0.00000811,
0
],
[
-0.00000811,
0.6531836,
0
],
[
0,
0,
0.67393476
]
] | -69.700484
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00094014
],
[
0,
0,
-0.00094014
],
[
0,
0,
0.00303286
],
[
0.00138075,
-0.00113595,
-0.00201952
],
[
0.00029339,
0.00176374,
-0.00201952
],
[
0,
0,
-0.00303286
],
[
-0.00029339,
-0.00176374,
0.00201952
],
[
-0.00138075,
0.00113595,
0.00201952
],
[
0.00167413,
0.00062779,
0.00201952
],
[
-0.00167413,
-0.00062779,
-0.00201952
]
] | 0
| 0
|
pbe
| true
|
860d0a7d368b0110dfc53c692f296f8b_147_Pm1Tl1Te2O8
|
[
"K",
"S",
"Sn",
"Zn"
] | 32
|
A17B6C5D4
|
K6S17Sn5Zn4
|
K6 S17 Sn5 Zn4
| 4
|
[
1,
1,
1
] | 3
|
[
[
-0.02185294,
0.02185292,
-9.88145756
],
[
-7.00250436,
7.00250435,
-4.9715645
],
[
7.01773184,
6.99587891,
4.94072831
]
] |
mp-1223803
|
[
[
-0.0045000621322217604,
7.019857223086307,
-7.426511314694105
],
[
1.1592708458606116,
1.1811237758606117,
-4.9407288584940785
],
[
3.401276849494975,
3.6666904992290013,
-2.4424825228433984
],
[
-3.335813855828568,
10.403781204437406,
-2.5290824512592045
],
[
3.3743964438177625,
10.376900798817761,
-2.4857827112023143
],
[
-3.3838338872016176,
3.618670467579853,
-2.485782208468855
],
[
0.003715057604770422,
8.940505201718036,
-3.8436205168143487
],
[
-0.007587071809225687,
5.091700516716621,
-3.838201565782038
],
[
1.938000849457683,
7.006219415344418,
-1.1279445831428796
],
[
-1.932656775756099,
7.016770206155112,
-11.014820934062893
],
[
6.97983597828874,
7.001688908288741,
-4.940729248923877
],
[
-3.121026284215306,
7.015490959287429,
-4.7006444963698435
],
[
3.11936343185694,
7.012595398601174,
-4.670873971259591
],
[
0.010091048037704553,
10.121867791293472,
-0.3006912083683435
],
[
0.012986608756349494,
3.881478075253615,
-0.270920264861674
],
[
-1.8971061524568125,
8.999364801021908,
-5.252302939721261
],
[
1.8827583526135003,
5.002595386725182,
-5.242552927686047
],
[
-1.903927843709735,
5.014744258154554,
-5.239507008064292
],
[
1.8878042649429738,
8.99174244017399,
-5.252472607348702
],
[
1.9892380907733522,
8.890308625542335,
0.2809073775743349
],
[
-2.0096130312714986,
5.120429436864212,
-9.613515260601947
],
[
-2.021761902677751,
8.90711563321057,
-9.610469594167265
],
[
1.9968604518225304,
5.10539820790675,
0.28073806213305463
],
[
-4.995376368944905,
7.00835838790476,
-6.347124247664445
],
[
4.979727037361277,
7.020492740937034,
-6.3223259538489724
],
[
-0.0038645462756070614,
12.004084320148635,
-8.530696911097504
],
[
-0.0159988993021567,
2.0289809138481765,
-8.505897947361648
],
[
-3.925939862410477,
7.021280892114546,
-12.296004747533333
],
[
3.905932319478922,
7.003276861085251,
-2.4126463919428702
],
[
0.0007725057361236409,
10.908436674566852,
-2.558918938635762
],
[
-0.0030763830470463827,
3.0984174324279303,
-2.557017520094854
],
[
0.0018169810643882123,
7.004321336064388,
-2.485782484977628
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"K",
"K",
"K",
"K",
"K",
"K",
"Zn",
"Zn",
"Zn",
"Zn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2019-01-13 00:08:50
|
[
0.1875,
0.53125,
0.15625,
0.125
] |
[
[
0.00658715,
0.00628743,
0.06709304
],
[
0.00628743,
0.00658715,
-0.06709304
],
[
0.06709306,
-0.06709306,
-0.71571527
]
] | -127.82518
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.01462046,
0.01462046,
0
],
[
-0.01517882,
-0.01517882,
0
],
[
0.07983527,
0.13654602,
0.08444582
],
[
0.13654602,
0.07983527,
-0.08444583
],
[
-0.03168308,
-0.03168308,
0
],
[
0.0089163,
0.0089163,
0
],
[
0.00235913,
-0.00280675,
-0.006839
],
[
-0.0084331,
0.01393945,
-0.02035771
],
[
-0.00280675,
0.00235913,
0.006839
],
[
0.01393945,
-0.0084331,
0.02035771
],
[
-0.06891801,
-0.06891801,
0
],
[
-0.0430084,
0.06798291,
0.0168055
],
[
-0.01525941,
-0.12056657,
-0.00364477
],
[
-0.12056657,
-0.01525941,
0.00364478
],
[
0.06798291,
-0.0430084,
-0.01680551
],
[
-0.0125002,
-0.00616654,
0.0155304
],
[
0.02718102,
-0.03328236,
-0.00722426
],
[
-0.03630046,
0.01045571,
0.01756345
],
[
0.0110783,
-0.03940529,
-0.01136293
],
[
-0.03940529,
0.0110783,
0.01136293
],
[
0.01045571,
-0.03630046,
-0.01756345
],
[
-0.03328236,
0.02718102,
0.00722426
],
[
-0.00616654,
-0.0125002,
-0.0155304
],
[
0.01611929,
0.00148239,
-0.03250024
],
[
-0.02332785,
0.00388244,
-0.03038951
],
[
0.00388244,
-0.02332785,
0.03038951
],
[
0.00148239,
0.01611929,
0.03250024
],
[
-0.01318138,
0.00218122,
0.03483893
],
[
0.05061754,
-0.00297393,
0.01499707
],
[
-0.00297393,
0.05061754,
-0.01499707
],
[
0.00218122,
-0.01318138,
-0.03483893
],
[
0.0257947,
0.0257947,
0
]
] | 0
| 0.947187
|
pbe
| true
|
d3c75c307a45755c76f8512afbbe91e8_5_K6Zn4Sn5S17
|
[
"O",
"Pt",
"Sm",
"Sr"
] | 10
|
A6B2CD
|
O6PtSmSr2
|
Sr2 Sm1 Pt1 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.96293589,
0,
0
],
[
2.98146795,
5.16405396,
0
],
[
2.98146795,
1.72135132,
4.86871677
]
] |
agm002230391
|
[
[
5.962935897652315,
5.268929079376373,
3.7256954856694224
],
[
7.544494385137893,
2.5295894203118134,
3.7256954856694224
],
[
4.381377404862106,
4.355815859688187,
1.1430212843305771
],
[
7.544494385137893,
4.355815859688187,
1.1430212843305771
],
[
5.9629358923476845,
1.6164762006236273,
1.1430212843305771
],
[
4.381377404862106,
2.5295894203118134,
3.7256954856694224
],
[
2.9814679474999997,
1.7213513200000001,
1.2171791925
],
[
8.9444038425,
5.16405396,
3.6515375775
],
[
5.962935894999999,
3.4427026400000003,
2.434358385
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"O",
"O",
"O",
"O",
"O",
"O",
"Sr",
"Sr",
"Sm",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.6,
0.1,
0.1,
0.2
] |
[
[
0.545432,
0,
0
],
[
0,
0.545432,
0
],
[
0,
0,
0.545432
]
] | -65.353491
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0.00299222,
0.00211582
],
[
0.00259134,
-0.00149611,
0.00211582
],
[
-0.00259134,
0.00149611,
-0.00211582
],
[
0.00259134,
0.00149611,
-0.00211582
],
[
0,
-0.00299222,
-0.00211582
],
[
-0.00259134,
-0.00149611,
0.00211582
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 6.747877
|
pbe
| true
|
3ceaad3d35796fa8348bb8a5d8c1df36_225_Sr2Sm1Pt1O6
|
[
"K",
"S",
"Sr",
"Tl"
] | 12
|
ABCD
|
KSSrTl
|
K3 Sr3 Tl3 S3
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.23914266,
0,
0
],
[
-2.11957133,
3.67120524,
0
],
[
0,
0,
28.47111798
]
] |
agm002130191
|
[
[
0,
0,
24.816897534034027
],
[
-2.1195713406595083e-8,
2.4474701722373506,
15.326534364406687
],
[
2.119571351195713,
1.223735067762649,
5.836142723661367
],
[
0,
0,
4.359333022035675
],
[
-2.1195713406595083e-8,
2.4474701722373506,
23.340087832408333
],
[
2.119571351195713,
1.223735067762649,
13.849696191663016
],
[
0,
0,
10.987740122170603
],
[
-2.1195713406595083e-8,
2.4474701722373506,
1.4973769525432632
],
[
2.119571351195713,
1.223735067762649,
20.47810329179794
],
[
0,
0,
17.331743815290892
],
[
-2.1195713406595083e-8,
2.4474701722373506,
7.841380645663554
],
[
2.119571351195713,
1.223735067762649,
26.822106984918232
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"S",
"S",
"S",
"Sr",
"Sr",
"Sr",
"Tl",
"Tl",
"Tl",
"K",
"K",
"K"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
1.2258458,
0,
0
],
[
0,
1.2258458,
0
],
[
0,
0,
1.1405016
]
] | -38.548189
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
-0.00146606
],
[
0,
0,
-0.00146606
],
[
0,
0,
-0.00146606
],
[
0,
0,
-0.00245661
],
[
0,
0,
-0.00245661
],
[
0,
0,
-0.00245661
],
[
0,
0,
0.00156174
],
[
0,
0,
0.00156174
],
[
0,
0,
0.00156174
],
[
0,
0,
0.00236094
],
[
0,
0,
0.00236094
],
[
0,
0,
0.00236094
]
] | -0.000006
| 7.570783
|
pbe
| true
|
a2859dc89ae3ee0c93bf0d03921be812_160_K3Sr3Tl3S3
|
[
"Be",
"Co",
"Ir"
] | 4
|
A2BC
|
BeCo2Ir
|
Be1 Co2 Ir1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.40642292,
0.00152282,
0
],
[
1.70187648,
4.06450264,
0
],
[
-3.05415077,
-2.03301344,
2.44040666
]
] |
agm004091785
|
[
[
2.2032109249999996,
0.0007610549999998995,
1.22020333
],
[
0.850937705,
2.0322509650000002,
1.22020333
],
[
0,
0,
0
],
[
3.0541497,
2.03301273,
0
]
] |
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Be",
"Ir",
"Co",
"Co"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
3.9202802,
0.16681343,
-0.00000161
],
[
0.16681343,
3.7807205,
-0.00000107
],
[
-0.00000161,
-0.00000107,
3.6696744
]
] | -27.253869
|
[
0,
0,
0.009,
0.009
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.017271
| 4.188988
|
pbe
| true
|
b843bcede25408b2f5235f295fcddd35_139_Be1Co2Ir1
|
[
"Hg",
"Li",
"Tl"
] | 3
|
ABC
|
HgLiTl
|
Li1 Tl1 Hg1
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.25679643,
-0.11112221,
0.11964736
],
[
5.35848075,
3.23226488,
0.11703591
],
[
0.89831537,
0.24408388,
3.33446662
]
] |
agm003159578
|
[
[
8.150157309679122,
2.1909020142940205,
1.2382908926023406
],
[
11.343868309261396,
3.0482806694840945,
0.3151351933065857
],
[
4.634844227212254,
1.2471865674333118,
2.2544070764579067
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
|
[
"Tl",
"Hg",
"Li"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
4.957492,
-0.04639103,
0.04994962
],
[
-0.04639103,
5.1148367,
0.01061891
],
[
0.04994962,
0.01061891,
5.1132655
]
] | -5.097181
|
[
0,
0,
0
] |
[
[
-0.00133066,
-0.00035723,
0.00038463
],
[
0.00329885,
0.00088561,
-0.00095355
],
[
-0.0019682,
-0.00052838,
0.00056892
]
] | -0.000005
| 1.511624
|
pbe
| true
|
011b05407cb041aa17b9e72f19375f43_107_Li1Tl1Hg1
|
[
"Hg",
"Mo",
"Se"
] | 4
|
A2BC
|
HgMo2Se
|
Hg1 Mo2 Se1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.63830371,
0.00548781,
0
],
[
-0.00460226,
4.63830468,
0
],
[
0,
0,
3.1509339
]
] |
agm004272348
|
[
[
-0.00230113,
2.31915234,
1.57546695
],
[
0,
0,
0
],
[
2.3168507249999997,
2.321896245,
0
],
[
2.319151855,
0.002743905,
1.57546695
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Hg",
"Mo",
"Mo",
"Se"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
6.591801,
-0.11741804,
0
],
[
-0.11741804,
6.5912905,
0
],
[
0,
0,
6.151865
]
] | -23.043858
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000324
| 4.482328
|
pbe
| true
|
65c1f278d9dbfcf7a6a4d50785df4e5b_123_Hg1Mo2Se1
|
[
"Hg",
"Mo",
"Ta"
] | 4
|
A2BC
|
HgMo2Ta
|
Ta1 Hg1 Mo2
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.71221063,
0,
0
],
[
0,
4.45753732,
0
],
[
0,
0,
5.86041716
]
] |
agm004231717
|
[
[
1.356105315,
2.22876866,
4.39531287
],
[
0,
0,
0.0899522462388992
],
[
0,
0,
2.8402563337611006
],
[
1.356105315,
2.22876866,
1.46510429
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Hg",
"Mo",
"Mo",
"Ta"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
7.967813,
0,
0
],
[
0,
7.424546,
0
],
[
0,
0,
7.782621
]
] | -32.121819
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.00447397
],
[
0,
0,
0.00447397
],
[
0,
0,
0
]
] | -0.000003
| 2.975656
|
pbe
| true
|
52b451a1b8d6578b5a9b27d601680b00_47_Ta1Hg1Mo2
|
[
"K",
"Sb",
"Se",
"Sm"
] | 56
|
A8B3C2D
|
KSb3Se8Sm2
|
K4 Sb12 Se32 Sm8
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.13961035,
0,
0
],
[
0,
17.1350884,
0
],
[
0,
0,
22.31865922
]
] |
mp-567322
|
[
[
3.1047077625,
5.10173782038892,
5.447316271758361
],
[
1.0349025875,
12.033350579611081,
16.87134294824164
],
[
3.1047077625,
13.66928202038892,
5.71201333824164
],
[
1.0349025875,
3.46580637961108,
16.60664588175836
],
[
3.1047077625,
16.50597654235903,
2.0039939736699455
],
[
3.1047077625,
7.938432342359029,
9.155335636330054
],
[
1.0349025875,
4.9889790003656485,
12.153506473424173
],
[
1.0349025875,
9.196656057640972,
13.163323583669946
],
[
1.0349025875,
13.556523200365648,
21.324482356575828
],
[
3.1047077625,
12.146109399634353,
10.165152746575826
],
[
3.1047077625,
3.578565199634352,
0.994176863424173
],
[
1.0349025875,
0.629111857640972,
20.314665246330055
],
[
1.0349025875,
7.245179907766524,
1.939296197949825
],
[
1.0349025875,
0.614762763263928,
5.40520587191525
],
[
1.0349025875,
6.088974053695196,
20.098535144615642
],
[
3.1047077625,
11.046114346304805,
2.220124075384358
],
[
1.0349025875,
14.656518253695197,
13.379453685384359
],
[
1.0349025875,
9.18230696326393,
5.7541237380847505
],
[
3.1047077625,
7.952781436736072,
16.56453548191525
],
[
3.1047077625,
9.889908492233477,
20.379363022050175
],
[
3.1047077625,
2.4785701463048038,
8.939205534615642
],
[
3.1047077625,
1.322364292233476,
13.098625807949825
],
[
3.1047077625,
16.52032563673607,
16.91345334808475
],
[
1.0349025875,
15.812724107766524,
9.220033412050176
],
[
1.0349025875,
15.368903385293374,
18.392059611304724
],
[
1.0349025875,
3.626644372825028,
21.14316467632618
],
[
1.0349025875,
10.590938200748973,
22.262290991087376
],
[
1.0349025875,
11.6343180652505,
3.9349878535765224
],
[
1.0349025875,
2.023394000748972,
11.215697838912623
],
[
3.1047077625,
4.940899827174972,
9.983835066326177
],
[
1.0349025875,
9.04971787678622,
18.517255460639536
],
[
3.1047077625,
3.807384599864692,
13.964674819777454
],
[
3.1047077625,
15.111694399251029,
11.102961381087376
],
[
3.1047077625,
5.5007703347495,
18.383671366423478
],
[
3.1047077625,
10.333729214706628,
7.232730001304722
],
[
3.1047077625,
15.860897181241633,
21.382682947410412
],
[
1.0349025875,
6.968032704212824,
7.380461893600339
],
[
3.1047077625,
14.0683145347495,
15.094317463576523
],
[
1.0349025875,
0.48217367678622003,
14.960733369360465
],
[
3.1047077625,
1.7661850147066283,
3.9265996086952777
],
[
1.0349025875,
15.535576904212824,
3.778867716399662
],
[
1.0349025875,
13.327703800135309,
8.353984400222547
],
[
3.1047077625,
16.65291472321378,
7.3579258506395355
],
[
1.0349025875,
1.2741912187583682,
0.9359762725895868
],
[
3.1047077625,
10.167055695787177,
14.938197326399663
],
[
1.0349025875,
12.194188572825029,
12.334824153673821
],
[
1.0349025875,
3.0667738652505,
7.2243417564234775
],
[
1.0349025875,
6.801359185293372,
15.085929218695279
],
[
3.1047077625,
12.374928799864692,
19.513314010222548
],
[
3.1047077625,
6.544150199251029,
0.056368228912624205
],
[
3.1047077625,
1.5995114957871759,
18.539791503600338
],
[
3.1047077625,
8.085370523213781,
3.8014037593604644
],
[
1.0349025875,
4.760159600135308,
2.805345209777453
],
[
1.0349025875,
9.841735418758368,
10.223353337410414
],
[
3.1047077625,
7.2933529812416324,
12.095305882589589
],
[
3.1047077625,
13.508444027174972,
1.1754945436738218
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"K",
"K",
"K",
"K",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2014-02-18 04:06:06
|
[
0.07142857142857142,
0.21428571428571427,
0.5714285714285714,
0.14285714285714285
] |
[] | -258.434641
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[] | 0
| 3.430651
|
pbe
| true
|
d72fc494451ed451ba3c8557d3dbfb93_62_K4Sm8Sb12Se32
|
[
"K",
"Sb",
"Se",
"Th"
] | 40
|
A6B2CD
|
KSb2Se6Th
|
K4 Sb8 Se24 Th4
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.29645477,
0,
-0.18159221
],
[
0,
15.31653242,
0
],
[
-0.05362713,
0,
17.29390385
]
] |
mp-568904
|
[
[
1.100421613556681,
10.92482859316507,
11.588469556304727
],
[
1.127235178556681,
12.049970036834928,
2.941517631304726
],
[
3.14240602644332,
4.391703826834929,
5.523842083695274
],
[
3.1155924614433195,
3.266562383165071,
14.170794008695273
],
[
3.00339746809822,
1.9766055544059133,
1.447397489040881
],
[
1.2394301719017804,
13.339926865594087,
15.664914150959119
],
[
2.97658390309822,
5.681660655594087,
10.094349414040881
],
[
1.2662437369017805,
9.634871764405913,
7.017962225959118
],
[
1.1288299065888203,
1.9349519381590747,
9.043764989477443
],
[
1.1556434715888202,
5.723314271840925,
0.3968130644774455
],
[
3.0871841684111803,
9.593218148159075,
16.715498575522556
],
[
1.0427793046303857,
0.394189341667604,
5.083632350067281
],
[
3.226861900369615,
8.052455551667604,
3.3817273649327197
],
[
3.200048335369615,
14.922343078332396,
12.02867928993272
],
[
3.11399773341118,
13.381580481840924,
8.068546650522554
],
[
1.0159657396303856,
7.264076868332396,
13.73058427506728
],
[
1.4279845146184817,
7.207661024973837,
5.171646279331432
],
[
2.8416566903815186,
14.865927234973837,
3.293713435668568
],
[
1.4011709496184817,
0.4506051850261626,
13.818598204331431
],
[
1.1367756138595215,
12.701147358215529,
6.407657109518551
],
[
3.1060520261404787,
2.6153850617844694,
10.704654530481449
],
[
2.899932420779731,
1.2450100048766952,
6.937873385715131
],
[
1.3428952192202699,
14.071522415123304,
10.174438254284869
],
[
0.8459998140352096,
3.1464773993551387,
16.994722564968495
],
[
1.1099620488595214,
10.27365127178447,
15.05460903451855
],
[
0.8728133790352096,
4.511788810644862,
8.347770639968495
],
[
3.1328655911404786,
5.04288114821553,
2.0577026054814485
],
[
1.3697087842202698,
8.903276214876696,
1.5274863292848695
],
[
0.7716986246722003,
15.112166225399802,
0.986892753905843
],
[
3.34495435762309,
12.674282773012147,
13.50980259315126
],
[
2.8148431253815187,
8.108871395026162,
11.940665360668568
],
[
3.37176792262309,
10.300515856987852,
4.86285066815126
],
[
2.8731188557797305,
6.413256205123304,
15.58482531071513
],
[
0.8978732823769102,
2.6422496469878527,
3.6025090468487395
],
[
0.8710597173769101,
5.016016563012147,
12.24946097184874
],
[
3.396827825964791,
12.17005502064486,
0.1175890750315039
],
[
3.4711290153278003,
0.204366194600197,
16.125418886094156
],
[
0.7448850596722003,
7.862632404600197,
9.633844678905842
],
[
3.4979425803278,
7.453900015399802,
7.478466961094156
],
[
3.370014260964791,
10.804743609355139,
8.764541000031503
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]
|
[
"K",
"K",
"K",
"K",
"Th",
"Th",
"Th",
"Th",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2014-02-18 16:23:55
|
[
0.1,
0.2,
0.6,
0.1
] |
[] | -187.41583
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[] | 0
| 4.033773
|
pbe
| true
|
e2ff2d0de8693bb0ec51dddd485d4597_14_K4Th4Sb8Se24
|
[
"Hg",
"Na",
"V"
] | 4
|
A2BC
|
HgNa2V
|
Na2 V1 Hg1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.63946619,
3.63946619
],
[
3.63946619,
0,
3.63946619
],
[
3.63946619,
3.63946619,
0
]
] |
agm002710157
|
[
[
1.819733095,
1.819733095,
1.819733095
],
[
5.4591992849999995,
5.4591992849999995,
5.4591992849999995
],
[
3.63946619,
3.63946619,
3.63946619
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Na",
"Na",
"Hg",
"V"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
2.608613,
0,
0
],
[
0,
2.608613,
0
],
[
0,
0,
2.608613
]
] | -9.72143
|
[
0.015,
0.015,
0.023,
3.143
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.237045
| 4.733757
|
pbe
| true
|
f4d278dd692a1298bd65d5be7cf4b8cd_225_Na2V1Hg1
|
[
"Hg",
"Nb",
"Rb"
] | 3
|
ABC
|
HgNbRb
|
Rb1 Nb1 Hg1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.8078897,
3.8078897
],
[
3.8078897,
0,
3.8078897
],
[
3.8078897,
3.8078897,
0
]
] |
agm003134592
|
[
[
5.71183455,
5.71183455,
5.71183455
],
[
0,
0,
0
],
[
1.90394485,
1.90394485,
1.90394485
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
|
[
"Nb",
"Hg",
"Rb"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
2.2371948,
0,
0
],
[
0,
2.2371948,
0
],
[
0,
0,
2.2371948
]
] | -7.317799
|
[
2.833,
0.069,
0.04
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.014678
| 0.560708
|
pbe
| true
|
3b0bfa9ac9cb91a51ed83faa7af0bb77_216_Rb1Nb1Hg1
|
[
"O",
"Rh",
"Sr",
"Te"
] | 10
|
A6B2CD
|
O6RhSr2Te
|
Sr2 Te1 Rh1 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.03972234,
0,
0.12529287
],
[
0,
5.46967803,
0
],
[
-1.93468984,
-2.73483901,
5.15730345
]
] |
agm004934613
|
[
[
0.20080829322038612,
0.0000027371416624341706,
2.4022335475363903
],
[
2.9042242067796136,
2.734836282858337,
2.8803627724636094
],
[
0,
2.734839015,
0
],
[
2.51986117,
0,
0.062646435
],
[
0.6744607403387801,
2.7348417242203733,
1.8175747790932415
],
[
-0.6615432937013755,
-1.3720513086275155,
4.4325678059056886
],
[
3.7665757937013753,
1.3627877028255662,
0.8500285140943115
],
[
-0.6615432937013755,
1.3720513171744333,
4.4325678059056886
],
[
3.7665757937013753,
4.106890328627515,
0.8500285140943115
],
[
2.4305717596612193,
-0.000002704220373085226,
3.465021540906758
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Sr",
"Te",
"Rh",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.6,
0.1,
0.2,
0.1
] |
[
[
1.2096314,
0,
0.03066797
],
[
0,
1.2145004,
0
],
[
0.03066814,
0,
0.6571584
]
] | -61.0078
|
[
0.002,
0.002,
-0.009,
0.745,
-0.003,
0.055,
0.055,
0.055,
0.055,
-0.003
] |
[
[
-0.00124599,
0,
0.00443892
],
[
0.00124599,
0,
-0.00443892
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00085196,
0,
0.0018029
],
[
-0.00142038,
-0.00151546,
0.00034019
],
[
0.00142038,
-0.00151546,
-0.00034019
],
[
-0.00142038,
0.00151546,
0.00034019
],
[
0.00142038,
0.00151546,
-0.00034019
],
[
-0.00085196,
0,
-0.0018029
]
] | 1.012531
| 3.160613
|
pbe
| true
|
b0d0ae8e3ce9d5c283c3e2eca220647c_12_Sr2Te1Rh1O6
|
[
"O",
"Sr",
"Tc",
"Y"
] | 12
|
A8B2CD
|
O8SrTc2Y
|
Sr1 Y1 Tc2 O8
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.91295803,
9e-7,
0
],
[
-2.95647979,
5.12077141,
0
],
[
0,
0,
7.17603456
]
] |
agm004877070
|
[
[
0,
0,
0
],
[
0,
0,
3.58801728
],
[
2.95647878623146,
1.7069243862640981,
1.5085375892427648
],
[
-5.46231459432501e-7,
3.4138479237359016,
5.667496970757235
],
[
-5.46231459432501e-7,
3.4138479237359016,
0.257951891104128
],
[
1.4457090649176143,
0.8364475787484629,
2.066239548192307
],
[
4.465718645715639,
0.8337978853576227,
2.066239548192307
],
[
2.95647878623146,
1.7069243862640981,
6.918082668895872
],
[
-1.5092404057156388,
4.286974424642377,
5.109795011807693
],
[
1.5107691750823864,
4.2843247312515365,
5.109795011807693
],
[
-0.001530319366747101,
1.6702445641060855,
5.109795011807693
],
[
2.958008559366748,
3.4505277458939143,
2.066239548192307
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Sr",
"Y",
"Tc",
"Tc",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.6666666666666666,
0.08333333333333333,
0.16666666666666666,
0.08333333333333333
] |
[
[
0.63845944,
-0.00000471,
0
],
[
0.00000471,
0.63845944,
0
],
[
0,
0,
0.88886976
]
] | -93.078406
|
[
0.009,
0.067,
0.98,
0.98,
0.127,
0.062,
0.062,
0.127,
0.062,
0.062,
0.062,
0.062
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00381264
],
[
0,
0,
0.00381264
],
[
0,
0,
-0.00211847
],
[
-0.00302264,
-0.00294482,
0.00319379
],
[
0.0040616,
-0.00114527,
0.00319379
],
[
0,
0,
0.00211847
],
[
-0.0040616,
0.00114527,
-0.00319379
],
[
0.00302264,
0.00294482,
-0.00319379
],
[
0.00103897,
-0.00409009,
-0.00319379
],
[
-0.00103897,
0.00409009,
0.00319379
]
] | 3.001684
| 8.561862
|
pbe
| true
|
ca0d1aa8c2a11e680ebc543d89f2c782_164_Sr1Y1Tc2O8
|
[
"Hg",
"Pb",
"Pt"
] | 3
|
ABC
|
HgPbPt
|
Hg1 Pt1 Pb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.55670073,
0.06806222,
-0.00146959
],
[
4.763775,
4.50570803,
0.00146951
],
[
-5.75537485,
-2.05140748,
2.37956832
]
] |
agm004198120
|
[
[
0.286980852040938,
0.11594782009965,
-2.028047999999959e-9
],
[
3.49494194452406,
1.4120485633814701,
-2.469819839997056e-8
],
[
1.7831779702302448,
0.9943663407811778,
2.379568266726247
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Hg",
"Pb",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
6.6133747,
-0.18211693,
0.8577212
],
[
-0.18211693,
6.9905443,
-2.122917
],
[
0.8577212,
-2.122917,
7.5500565
]
] | -10.071345
|
[
0,
0,
0
] |
[
[
0.00396246,
0.00160094,
0
],
[
-0.01603474,
-0.00647846,
0
],
[
0.01207228,
0.00487752,
0
]
] | 0
| 0.822496
|
pbe
| true
|
84ec98d72e74f5b9e4e34aad62f8005f_44_Hg1Pt1Pb1
|
[
"O",
"Sr",
"U",
"Zn"
] | 10
|
A6B2CD
|
O6Sr2UZn
|
Sr2 U1 Zn1 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.88303256,
0,
-0.33923328
],
[
0,
5.82990508,
0
],
[
-2.75975445,
-2.91495254,
4.33571596
]
] |
agm004935009
|
[
[
0.005100755212604366,
0.000002914952540007431,
2.1133734037655763
],
[
3.1181773547873957,
2.9149496250474596,
1.883109276234424
],
[
0,
2.91495254,
0
],
[
2.94151628,
0,
-0.16961664
],
[
0.5986479498603493,
2.91495545495254,
1.9854294938212633
],
[
-1.3180674929141052,
-1.4487848143105329,
3.8561271030040496
],
[
4.441345602914105,
1.4661676673904163,
0.14035557699595036
],
[
-1.3180674929141052,
1.4487848726095836,
3.8561271030040496
],
[
4.441345602914105,
4.3637373543105324,
0.14035557699595036
],
[
2.5246301601396506,
-0.000002914952540020228,
2.011053186178737
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Sr",
"Sr",
"U",
"Zn",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.6,
0.2,
0.1,
0.1
] |
[
[
0.49963498,
0,
0.00845846
],
[
0,
0.64239234,
0
],
[
0.00845845,
0,
0.78307015
]
] | -73.384068
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
-0.00213262,
0,
0.00062426
],
[
0.00213262,
0,
-0.00062426
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00230709,
0,
-0.00367692
],
[
0.00100095,
-0.00149663,
-0.00266405
],
[
-0.00100095,
-0.00149663,
0.00266405
],
[
0.00100095,
0.00149663,
-0.00266405
],
[
-0.00100095,
0.00149663,
0.00266405
],
[
-0.00230709,
0,
0.00367692
]
] | 0
| 0
|
pbe
| true
|
e1f7f91af05e65cbe720fc2652276c5c_12_Sr2U1Zn1O6
|
[
"P",
"Pd",
"Sn",
"Sr"
] | 10
|
A2BCD
|
PPd2SnSr
|
P1 Pd2 Sn1 Sr1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.396094183,
0,
0
],
[
0,
4.396094183,
0
],
[
0,
0,
10.694190255
]
] |
oqmd-9947547
|
[
[
0,
2.1980500000000003,
1.24009
],
[
2.1980500000000003,
0,
9.4541
],
[
0,
0,
0
],
[
2.1980500000000003,
2.1980500000000003,
0
],
[
0,
2.1980500000000003,
3.63529
],
[
2.1980500000000003,
0,
7.0589
],
[
0,
0,
5.3471
],
[
2.1980500000000003,
2.1980500000000003,
5.3471
],
[
2.1980500000000003,
0,
2.43036
],
[
0,
2.1980500000000003,
8.26383
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"P",
"P",
"Pd",
"Pd",
"Pd",
"Pd",
"Sn",
"Sn",
"Sr",
"Sr"
] |
2024-11-01 00:00:00
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
2.92592015,
0,
0
],
[
0,
2.92592015,
0
],
[
0,
0,
1.28108092
]
] | -50.5799
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0.024005
],
[
0,
0,
-0.024005
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.006306
],
[
0,
0,
0.006306
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.003713
],
[
0,
0,
0.003713
]
] | null | null |
pbe
| true
|
d70fdce7635e4c77f0f1ef3741b62d66_129_Sr2Sn2P2Pd4
|
[
"Be",
"Co",
"Ru"
] | 4
|
A2BC
|
BeCoRu2
|
Be1 Co1 Ru2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.58959611,
-0.0051779,
0
],
[
1.921668,
4.1679265,
0
],
[
-3.25563066,
-2.08137341,
2.47652438
]
] |
agm004111941
|
[
[
0,
0,
0
],
[
0.9608346975,
2.0839636950000004,
1.23826219
],
[
2.2947987525,
-0.002588504999999852,
1.23826219
],
[
3.2556320549999995,
2.0813743000000002,
0
]
] |
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
|
[
"Ru",
"Ru",
"Co",
"Be"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
2.5414345,
-0.04921767,
0.00000147
],
[
-0.04921767,
2.586954,
9.4e-7
],
[
0.00000147,
9.4e-7,
2.6184251
]
] | -29.249111
|
[
0.015,
0.109,
0.438,
-0.007
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.550696
| 5.056984
|
pbe
| true
|
5a756fb8517945c79abdced585f9def1_119_Be1Co1Ru2
|