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62
⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Al",
"Hf",
"Mg",
"Pb"
] | 5
|
A2BCD
|
Al2HfMgPb
|
Hf1 Mg1 Al2 Pb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.8955784,
0,
0
],
[
0,
5.31634962,
0
],
[
0,
0,
4.8955784
]
] |
agm001549419
|
[
[
2.4477892,
2.65817481,
2.4477892
],
[
0,
0,
0
],
[
0,
2.65817481,
0
],
[
0,
0,
2.4477892
],
[
2.4477892,
0,
0
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Pb",
"Mg",
"Hf",
"Al",
"Al"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
2.077536,
0,
0
],
[
0,
2.2455935,
0
],
[
0,
0,
2.077536
]
] | -18.34503
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 1.887101
|
pbe
| true
|
1a3315670ff963f741e3875f03159c5d_123_Hf1Mg1Al2Pb1
|
[
"Al",
"Hg",
"Sr",
"Tl"
] | 4
|
ABCD
|
AlHgSrTl
|
Sr1 Al1 Tl1 Hg1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.32597062,
0,
0
],
[
2.66298531,
4.61242586,
0
],
[
2.66298531,
1.53747529,
4.3486368
]
] |
agm001393180
|
[
[
5.32597062,
3.074950575,
2.1743184
],
[
7.9889559299999995,
4.6124258625,
3.2614776
],
[
2.66298531,
1.5374752875,
1.0871592
],
[
0,
0,
0
]
] |
[{"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": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Tl",
"Hg",
"Al"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
2.918985,
0,
0
],
[
0,
2.918985,
0
],
[
0,
0,
2.918985
]
] | -8.866289
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001
| 1.2603
|
pbe
| true
|
7613cea535af0bb18e8ef8d449a5e923_216_Sr1Al1Tl1Hg1
|
[
"Al",
"Ho",
"Ir",
"Si"
] | 9
|
A3B3C2D
|
Al3Ho3IrSi2
|
Ho3 Al3 Si2 Ir1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.20905746,
0,
0
],
[
0,
6.88447758,
0
],
[
0,
-3.4422388,
5.96213248
]
] |
agm002328572
|
[
[
2.10452873,
-4.1089054569821645e-8,
3.974755006540442
],
[
2.10452873,
3.442238821089055,
1.9873774734595584
],
[
0,
0,
0
],
[
0,
-2.0082512710900637,
3.478393228083814
],
[
0,
4.0165025305118425,
0
],
[
0,
1.4339875205782215,
2.4837392519161856
],
[
2.10452873,
2.6393685629632664,
4.571520467250739
],
[
2.10452873,
-1.8364983612617183,
5.96213248
],
[
2.10452873,
6.081607358298452,
1.3906120127492607
]
] |
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Si",
"Si",
"Ir",
"Ho",
"Ho",
"Ho",
"Al",
"Al",
"Al"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.1111111111111111,
0.2222222222222222
] |
[
[
1.017137,
0,
0
],
[
0,
1.2087824,
0
],
[
0,
0,
1.2087824
]
] | -52.461221
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00072218,
0.00125086
],
[
0,
0.00144437,
0
],
[
0,
-0.00072218,
-0.00125086
],
[
0,
0.00184042,
0.0031877
],
[
0,
-0.00368084,
0
],
[
0,
0.00184042,
-0.0031877
]
] | 0
| 2.904068
|
pbe
| true
|
28f03fa04de0ef2c8b3a277fcdf71a2d_189_Ho3Al3Si2Ir1
|
[
"Al",
"Ho",
"La",
"Sm"
] | 4
|
ABCD
|
AlHoLaSm
|
La1 Sm1 Ho1 Al1
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.56184081,
0,
0
],
[
0,
3.56184081,
0
],
[
0,
0,
9.27981054
]
] |
agm005196035
|
[
[
0,
0,
0.7230403357445268
],
[
1.780920405,
1.780920405,
7.215725573912255
],
[
1.780920405,
1.780920405,
3.381384602817421
],
[
0,
0,
5.241527358263796
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"La",
"Sm",
"Ho",
"Al"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
0.8729737,
0,
0
],
[
0,
0.8729737,
0
],
[
0,
0,
0.94477344
]
] | -18.673045
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00033544
],
[
0,
0,
-0.00106966
],
[
0,
0,
-0.00206465
],
[
0,
0,
0.00279888
]
] | 0.000259
| 3.998043
|
pbe
| true
|
22e5ba570774d7b04ae7a53140a9b481_99_La1Sm1Ho1Al1
|
[
"Al",
"I",
"Ir",
"La"
] | 5
|
A2BCD
|
AlIIrLa2
|
La2 Al1 Ir1 I1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.84956012,
0,
0
],
[
0,
4.51473134,
0
],
[
0,
0,
5.84956012
]
] |
agm001515706
|
[
[
2.92478006,
2.25736567,
2.92478006
],
[
0,
2.25736567,
0
],
[
0,
0,
0
],
[
0,
0,
2.92478006
],
[
2.92478006,
0,
0
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
"Ir",
"Al",
"La",
"La"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
2.3122432,
0,
0
],
[
0,
1.4466854,
0
],
[
0,
0,
2.3122432
]
] | -24.95785
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001
| 5.125238
|
pbe
| true
|
c6c7d0236090eacf2a459fa23fc99b7e_123_La2Al1Ir1I1
|
[
"Al",
"I",
"Nb",
"Sb"
] | 5
|
A2BCD
|
AlINbSb2
|
Nb1 Al1 Sb2 I1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.18890206,
0,
0
],
[
0,
5.18890206,
0
],
[
0,
0,
5.47251726
]
] |
agm001778948
|
[
[
0,
0,
2.73625863
],
[
0,
2.59445103,
0
],
[
2.59445103,
0,
0
],
[
2.59445103,
2.59445103,
2.73625863
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
"Sb",
"Sb",
"Nb",
"Al"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.528167,
0,
0
],
[
0,
0.528167,
0
],
[
0,
0,
0.68412316
]
] | -18.847223
|
[
-0.098,
-0.091,
-0.091,
2.517,
0.017
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.799283
| 4.549151
|
pbe
| true
|
291a6c5e77aab2a513b3bf10ad82fee5_123_Nb1Al1Sb2I1
|
[
"Al",
"In",
"Mg",
"Tm"
] | 4
|
ABCD
|
AlInMgTm
|
Tm1 Mg1 Al1 In1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.05003143,
0,
0
],
[
2.52501572,
4.37345551,
0
],
[
2.52501572,
1.4578185,
4.1233334
]
] |
agm001399546
|
[
[
0,
0,
0
],
[
5.050031434999999,
2.9156370050000002,
2.0616667
],
[
7.5750471525,
4.3734555075,
3.09250005
],
[
2.5250157174999996,
1.4578185025000001,
1.03083335
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
|
[
"Mg",
"Tm",
"Al",
"In"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
1.6976265,
0,
0
],
[
0,
1.6976265,
0
],
[
0,
0,
1.6976265
]
] | -13.316408
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 2.232925
|
pbe
| true
|
37e4872db2636d271cf8065d43a3547c_216_Tm1Mg1Al1In1
|
[
"Al",
"Ir",
"Mg",
"Na"
] | 5
|
A2BCD
|
Al2IrMgNa
|
Na1 Mg1 Al2 Ir1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.77774447,
0,
0
],
[
0,
4.77774447,
0
],
[
0,
0,
5.0796039
]
] |
agm001637680
|
[
[
2.388872235,
2.388872235,
2.53980195
],
[
0,
0,
2.53980195
],
[
0,
0,
0
],
[
0,
2.388872235,
0
],
[
2.388872235,
0,
0
]
] |
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Na",
"Mg",
"Ir",
"Al",
"Al"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
0.8098159,
0,
0
],
[
0,
0.8098159,
0
],
[
0,
0,
0.7893199
]
] | -20.685143
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 1.716851
|
pbe
| true
|
a2910ab3608223b7f012cd22b076c080_123_Na1Mg1Al2Ir1
|
[
"Al",
"Ir",
"Ni",
"Th"
] | 10
|
A4B3C2D
|
Al4IrNi3Th2
|
Th2 Al4 Ni3 Ir1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.17531861,
0,
0
],
[
0,
4.17531861,
0
],
[
0,
0,
10.06992048
]
] |
agm004531552
|
[
[
2.087659305,
0,
2.537092699923667
],
[
0,
2.087659305,
7.532827780076333
],
[
2.087659305,
2.087659305,
0
],
[
0,
0,
0
],
[
2.087659305,
0,
6.346012831999167
],
[
0,
2.087659305,
3.723907648000834
],
[
0,
0,
5.03496024
],
[
2.087659305,
0,
8.745800454291553
],
[
0,
2.087659305,
1.324120025708448
],
[
2.087659305,
2.087659305,
5.03496024
]
] |
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Th",
"Th",
"Al",
"Al",
"Al",
"Al",
"Ni",
"Ni",
"Ni",
"Ir"
] |
2023-11-16 06:57:59
|
[
0.4,
0.1,
0.3,
0.2
] |
[
[
-2.959053,
0,
0
],
[
0,
-2.959053,
0
],
[
0,
0,
-2.5165198
]
] | -62.721004
|
[
0,
0,
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pbe
| true
|
7e8a72d8c578067891e666848e316188_115_Th2Al4Ni3Ir1
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[
"Al",
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A8B2CD
|
Al2IrO8Tl
|
Al2 Tl1 Ir1 O8
| 4
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[
1,
1,
1
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agm004902061
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|
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"Al",
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2023-11-16 06:57:59
|
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pbe
| true
|
d0fb504c9d7f612f09bc3277445f7cf4_10_Al2Tl1Ir1O8
|
[
"Al",
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A4BCD
|
AlKO4Pm
|
K2 Pm2 Al2 O8
| 4
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[
1,
1,
1
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agm005051270
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2023-11-16 06:57:59
|
[
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pbe
| true
|
03c5585af82a25d5c1356d94dfb10b2e_11_K2Pm2Al2O8
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[
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A7B3CD
|
AlLa3S7Zn
|
Al2 La6 S14 Zn2
| 4
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[
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1
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[
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mp-1191872
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|
[
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2019-01-11 22:02:33
|
[
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| 5.182918
|
pbe
| true
|
44c749319fdad85685d73f5ee11a6c77_173_La6Al2Zn2S14
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[
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ABCD
|
AlLiScZn
|
Li1 Sc1 Al1 Zn1
| 4
|
[
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agm001367121
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|
[
"Sc",
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2023-11-16 06:57:59
|
[
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[
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[
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| 1.744294
|
pbe
| true
|
15ff762e6659a4baed9182654d0d2e14_216_Li1Sc1Al1Zn1
|
[
"Al",
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|
A6B2CD
|
Al2NOSc6
|
Sc6 Al2 N1 O1
| 4
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[
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1
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[
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agm004935379
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|
[
"Sc",
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2023-11-16 06:57:59
|
[
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[
0,
0,
0
]
] | -0.000039
| 5.394641
|
pbe
| true
|
5289b9d1c3a63bd95f77ba1b00388375_225_Sc6Al2N1O1
|
[
"Al",
"Mn",
"Ni",
"Pu"
] | 4
|
ABCD
|
AlMnNiPu
|
Pu1 Mn1 Al1 Ni1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.47145172,
0,
0
],
[
2.23572586,
3.87239078,
0
],
[
2.23572586,
1.29079693,
3.65092504
]
] |
agm001358895
|
[
[
2.23572586,
1.2907969275,
0.91273126
],
[
6.70717758,
3.8723907825,
2.73819378
],
[
4.47145172,
2.581593855,
1.82546252
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
|
[
"Ni",
"Mn",
"Al",
"Pu"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
-1.150768,
0,
0
],
[
0,
-1.150768,
0
],
[
0,
0,
-1.150768
]
] | -33.714703
|
[
-0.186,
-2.509,
0.015,
4.912
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.361491
| 7.288271
|
pbe
| true
|
2d22d4d373baa9084a07c6262c0de2ec_216_Pu1Mn1Al1Ni1
|
[
"Al",
"Mn",
"Sn",
"W"
] | 5
|
A2BCD
|
AlMnSn2W
|
Mn1 Al1 Sn2 W1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.93340052,
0,
0
],
[
0,
4.56630208,
0
],
[
0,
0,
4.93340052
]
] |
agm001454795
|
[
[
0,
0,
0
],
[
0,
0,
2.46670026
],
[
2.46670026,
0,
0
],
[
2.46670026,
2.28315104,
2.46670026
],
[
0,
2.28315104,
0
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Mn",
"Sn",
"Sn",
"W",
"Al"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
-8.903229,
0,
0
],
[
0,
2.7234716,
0
],
[
0,
0,
-8.903229
]
] | -28.338686
|
[
1.69,
-0.061,
-0.055,
2.803,
-0.04
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.210004
| 3.789038
|
pbe
| true
|
79e620d3aa69419235c397772d9bc0d1_123_Mn1Al1Sn2W1
|
[
"Al",
"Mo",
"Os",
"Zn"
] | 4
|
ABCD
|
AlMoOsZn
|
Al1 Zn1 Mo1 Os1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.35268606,
0,
0
],
[
2.17634303,
3.7695367,
0
],
[
2.17634303,
1.25651223,
3.55395328
]
] |
agm001369789
|
[
[
2.17634303,
1.2565122325,
0.88848832
],
[
4.35268606,
2.513024465,
1.77697664
],
[
0,
0,
0
],
[
6.52902909,
3.7695366975000004,
2.66546496
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Mo",
"Os",
"Zn",
"Al"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
5.084287,
0,
0
],
[
0,
5.084287,
0
],
[
0,
0,
5.084287
]
] | -27.341195
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000023
| 2.223715
|
pbe
| true
|
1bbe1f24708ab7243941aef67a5d3442_216_Al1Zn1Mo1Os1
|
[
"Al",
"Nd",
"Pm",
"Si"
] | 4
|
ABCD
|
AlNdPmSi
|
Pm1 Nd1 Al1 Si1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.19971452,
0,
0
],
[
2.59985726,
4.50308487,
0
],
[
2.59985726,
1.50102829,
4.24554913
]
] |
agm001307839
|
[
[
7.79957178,
4.50308487,
3.1841618474999995
],
[
5.19971452,
3.00205658,
2.122774565
],
[
2.59985726,
1.50102829,
1.0613872825
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Si",
"Nd",
"Al",
"Pm"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
0.38191533,
0,
0
],
[
0,
0.38191533,
0
],
[
0,
0,
0.38191533
]
] | -20.033628
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000015
| 2.796314
|
pbe
| true
|
2d0bbe5b62362d30293d40a3ca5d0e99_216_Pm1Nd1Al1Si1
|
[
"Al",
"Np",
"Se",
"Tl"
] | 18
|
A5B2CD
|
AlNpSe5Tl2
|
Np2 Al2 Tl4 Se10
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.07387625,
0,
0
],
[
-2.03693812,
9.45044726,
0
],
[
0,
0,
14.04633949
]
] |
agm005157018
|
[
[
2.036938127986532,
5.64481282026941,
7.4318531896071605
],
[
2.0134679247483744e-9,
3.805634439730591,
0.4086834446071613
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[
2.036938125642084,
1.2135961956979682,
12.94785267381769
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[
4.357915897584242e-9,
8.236851064302032,
5.924682928817689
],
[
2.0369381084429343,
7.205618164786359,
11.686860244490697
],
[
-1.922825907823118e-8,
2.156822939158562,
9.510183572689126
],
[
2.15570653391671e-8,
2.2448290952136407,
4.663690499490697
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[
2.0369381492282588,
7.293624320841438,
2.4870138276891267
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[
-1.6965455585484363e-8,
6.433723777448299,
0.1557010044421469
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[
2.036938147287115,
3.6246894666730762,
12.479883001344716
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[
2.03693810464425,
0.025764848869410602,
10.950726145814942
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[
2.9540231945217357e-9,
5.583368091283287,
9.273790280851987
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[
2.0369381295158746,
8.53540694801472,
7.3686095460534355
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[
2.0369381469654555,
3.0167234825517015,
7.1788707494421455
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[
-1.7287115784955373e-8,
5.8257577933269244,
5.456713256344716
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[
2.5355749990011147e-8,
9.42468241113059,
3.9275564008149426
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[
2.0369381270459765,
3.867079168716714,
2.2506205358519873
],
[
4.841253854778397e-10,
0.9150403119852808,
0.3454398010534363
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
|
[
"Np",
"Np",
"Al",
"Al",
"Tl",
"Tl",
"Tl",
"Tl",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
0.1111111111111111,
0.5555555555555556,
0.2222222222222222
] |
[
[
2.2010758,
0,
0
],
[
0,
2.1006188,
0
],
[
0,
0,
2.0977848
]
] | -90.679098
|
[
2.982,
2.982,
0,
0,
-0.024,
-0.021,
-0.024,
-0.021,
-0.206,
-0.099,
-0.047,
-0.153,
-0.063,
-0.206,
-0.099,
-0.047,
-0.153,
-0.063
] |
[
[
0,
0.00150002,
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[
0,
-0.00150002,
-0.00071839
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[
0,
-0.00183311,
0.00032621
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[
0,
0.00183311,
0.00032621
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[
0,
0.00067321,
0.00310987
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[
0,
0.00106269,
-0.00035045
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[
0,
-0.00067321,
0.00310987
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[
0,
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[
0,
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0.00138584
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[
0,
-0.0032799,
0.0014146
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[
0,
0.00124615,
0.00306711
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[
0,
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-0.0028241
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[
0,
-0.00072091,
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[
0,
0.00375211,
0.00138584
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[
0,
0.0032799,
0.0014146
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[
0,
-0.00124615,
0.00306711
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[
0,
0.00231274,
-0.0028241
],
[
0,
0.00072091,
-0.00541071
]
] | 4.258472
| 13.4913
|
pbe
| true
|
80aa8afd1768662bd1beddc1b83103e8_36_Np2Al2Tl4Se10
|
[
"Al",
"O",
"Pa",
"Sr"
] | 16
|
A5BCD
|
AlO5PaSr
|
Sr2 Pa2 Al2 O10
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.99158213,
0.01822585,
-0.04435435
],
[
-1.73159274,
5.73593717,
-0.04435435
],
[
-1.82390149,
-2.46362739,
7.33082201
]
] |
agm005066591
|
[
[
0.4297848037800226,
3.182320941351506,
1.7883511525
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[
2.0063030962199777,
0.10821468864849337,
5.4537621575
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[
-0.911950745,
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3.665411005
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[
0,
0,
0
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[
3.0896828368569063,
1.2131140607918496,
1.7883511525
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[
-0.6535949368569061,
2.07742156920815,
5.4537621575
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[
-1.5300714524510335,
4.633264690580006,
1.7883511525
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[
3.966159352451034,
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5.4537621575
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[
4.6002449128301155,
1.4950325061174938,
0.856222304342863
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[
-2.1641570128301146,
1.7955031238825059,
6.385891005657137
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[
3.260997170177588,
-0.3139508361071004,
2.7204800006571372
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[
-0.8249092701775876,
3.6044864661071,
4.521633309342864
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[
2.666684278403458,
2.566123427333843,
2.8893418861841194
],
[
-0.23059637840345798,
0.7244122026661565,
4.352771423815881
],
[
1.6721251757596858,
1.2227268423640894,
0.6873604188158805
],
[
0.7639627242403149,
2.0678087876359106,
6.55475289118412
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Sr",
"Pa",
"Pa",
"Al",
"Al",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.125,
0.625,
0.125,
0.125
] |
[
[
0.5524622,
0.12697163,
0.02806362
],
[
0.12697163,
0.6299675,
0.03790681
],
[
0.02806357,
0.03790675,
0.60255605
]
] | -132.316492
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
-0.00083859,
0.00062083,
0
],
[
0.00083859,
-0.00062083,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00164976,
0.00122137,
0
],
[
0.00164976,
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0
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[
-0.0003403,
0.00025194,
0
],
[
0.0003403,
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0
],
[
-0.00118807,
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[
0.00118807,
0.00015053,
0.00137624
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[
-0.00020284,
0.00118027,
0.00137624
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[
0.00020284,
-0.00118027,
-0.00137624
],
[
-0.0026292,
-0.00144389,
-0.0029061
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[
0.0026292,
0.00144389,
0.0029061
],
[
0.0006135,
0.00293618,
0.0029061
],
[
-0.0006135,
-0.00293618,
-0.0029061
]
] | 0
| 0
|
pbe
| true
|
f1454a120f2de2088df4718e2094bd4c_15_Sr2Pa2Al2O10
|
[
"Al",
"Pd",
"Sr",
"Ti"
] | 5
|
A2BCD
|
Al2PdSrTi
|
Sr1 Ti1 Al2 Pd1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.4738867,
0,
0
],
[
0,
4.98039892,
0
],
[
0,
0,
5.4738867
]
] |
agm001456745
|
[
[
0,
0,
0
],
[
0,
0,
2.73694335
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[
2.73694335,
0,
0
],
[
0,
2.49019946,
0
],
[
2.73694335,
2.49019946,
2.73694335
]
] |
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Sr",
"Al",
"Al",
"Pd",
"Ti"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
1.8604674,
0,
0
],
[
0,
1.0311084,
0
],
[
0,
0,
1.8604674
]
] | -14.612691
|
[
0.026,
0,
0.005,
-0.005,
0.006
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.161077
| 5.994205
|
pbe
| true
|
3c52ffc6fbe135a8777e398ef0bc30d7_123_Sr1Ti1Al2Pd1
|
[
"Al",
"Se",
"Tc",
"W"
] | 5
|
A2BCD
|
AlSeTc2W
|
Al1 Tc2 W1 Se1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.82504665,
0,
0
],
[
0,
4.74970875,
0
],
[
0,
0,
4.82504665
]
] |
agm001436979
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[
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[
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0
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[
2.412523325,
2.374854375,
2.412523325
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|
[
"Se",
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"Tc",
"W",
"Al"
] |
2023-11-16 06:57:59
|
[
0.2,
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0.4,
0.2
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[
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[
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0
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[
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] | -33.670863
|
[
0.12,
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1.269,
-0.256,
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[
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[
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0
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[
0,
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[
0,
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0
]
] | 2.630655
| 5.044123
|
pbe
| true
|
1ef4fbb5bc58e93e530fcbe08723c361_123_Al1Tc2W1Se1
|
[
"As",
"Au",
"Cu",
"Se"
] | 5
|
A2BCD
|
As2AuCuSe
|
Cu1 As2 Au1 Se1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.00510261,
0,
0
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[
0,
5.00510261,
0
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[
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5.20197105
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agm001676611
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2.600985525
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"As",
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"Au",
"Cu",
"Se"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
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[
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0,
0
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[
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0
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[
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] | -14.948918
|
[
0.177,
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0.025,
0.029,
0.03
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[
[
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[
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0
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[
0,
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[
0,
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0
]
] | 0.817844
| 4.478647
|
pbe
| true
|
616f36da3abb984b81e226ddea47c128_123_Cu1As2Au1Se1
|
[
"As",
"Au",
"P",
"Rh"
] | 5
|
A2BCD
|
AsAu2PRh
|
As1 P1 Rh1 Au2
| 4
|
[
1,
1,
1
] | 3
|
[
[
2.88549773,
0,
-0.0091197
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[
0,
2.93074184,
0
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[
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0,
10.43215083
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agm002120699
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[
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6.704596153976018
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"As",
"P",
"Rh",
"Au",
"Au"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
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[
[
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0,
0.04475976
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[
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6.116646,
0
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[
0.04475996,
0,
5.86341
]
] | -24.452275
|
[
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[
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0.00000262
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[
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[
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[
-0.00003115,
0,
-0.00024314
],
[
-0.00089901,
0,
0.00661201
]
] | 0.000001
| 1.602281
|
pbe
| true
|
c1ee0297aa9b0cdbc41677b03bb7129d_6_As1P1Rh1Au2
|
[
"As",
"B",
"Cr",
"Ta"
] | 5
|
A2BCD
|
AsB2CrTa
|
Ta1 Cr1 B2 As1
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.81626038,
0,
0
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[
0,
4.63673327,
0
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[
0,
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3.81626038
]
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agm001596892
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[
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[
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[
1.90813019,
2.318366635,
1.90813019
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
|
[
"Cr",
"As",
"B",
"B",
"Ta"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
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[
[
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0,
0
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[
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1.334336,
0
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[
0,
0,
4.0910926
]
] | -34.575999
|
[
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[
[
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[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 2.33196
|
pbe
| true
|
89c62d68ea097ff6dc53fa03d70a2bd8_123_Ta1Cr1B2As1
|
[
"As",
"Au",
"Pd",
"Se"
] | 5
|
A2BCD
|
AsAuPdSe2
|
As1 Pd1 Au1 Se2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.04379909,
0,
0
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[
0,
5.04379909,
0
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[
0,
0,
4.7057524
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] |
agm001788989
|
[
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2.3528762
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2.3528762
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[
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"As",
"Au",
"Se",
"Se",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
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[
[
2.520274,
0,
0
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[
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2.520274,
0
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[
0,
0,
2.172706
]
] | -16.956205
|
[
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[
[
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[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000002
| 5.660461
|
pbe
| true
|
34537a1e0c6236739b800dc885a81126_123_As1Pd1Au1Se2
|
[
"As",
"B",
"Cu",
"Nb"
] | 5
|
A2BCD
|
AsBCu2Nb
|
Nb1 Cu2 B1 As1
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.85446259,
0,
0
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[
0,
4.74813278,
0
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[
0,
0,
3.85446259
]
] |
agm001440391
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[
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[
0,
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[
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2.37406639,
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[
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1.927231295
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[
1.927231295,
0,
0
]
] |
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
|
[
"Nb",
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"As",
"Cu",
"Cu"
] |
2023-11-16 06:57:59
|
[
0.2,
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0.4,
0.2
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[
[
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0,
0
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[
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0
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[
0,
0,
-2.2108364
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] | -27.364847
|
[
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[
[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 3.400215
|
pbe
| true
|
8479e888b9bd2c56539507104569f39b_123_Nb1Cu2B1As1
|
[
"As",
"B",
"Re",
"Se"
] | 5
|
A2BCD
|
AsBReSe2
|
Re1 B1 As1 Se2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.91996794,
0,
0
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[
0,
4.91996794,
0
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[
0,
0,
4.79058343
]
] |
agm001786575
|
[
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[
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2.395291715
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[
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2.395291715
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[
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2.45998397,
0
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[
2.45998397,
0,
0
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
|
[
"Re",
"As",
"B",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
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[
[
0.3722028,
0,
0
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[
0,
0.3722028,
0
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[
0,
0,
0.31235248
]
] | -23.762722
|
[
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[
[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000002
| 4.789084
|
pbe
| true
|
e26050b1260d83bcb6a23b7e814f43fb_123_Re1B1As1Se2
|
[
"As",
"Ba",
"Li",
"Pu"
] | 10
|
A4B3C2D
|
As4Ba2Li3Pu
|
Ba2 Li3 Pu1 As4
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.6803006,
0,
0
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[
0,
4.6803006,
0
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[
0,
0,
11.2982997
]
] |
agm004536364
|
[
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2.500002229487271
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[
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2.3401503,
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[
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[
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[
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2.3401503,
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[
2.3401503,
0,
7.303635121747002
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[
0,
2.3401503,
3.9946645782529977
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
|
[
"Ba",
"Ba",
"Li",
"Li",
"Li",
"Pu",
"As",
"As",
"As",
"As"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.3,
0.1
] |
[
[
0.45123023,
0,
0
],
[
0,
0.45123023,
0
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[
0,
0,
0.42398524
]
] | -50.759915
|
[
0.017,
0.017,
0.019,
-0.001,
-0.001,
5.344,
-0.002,
0,
-0.066,
-0.066
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[
[
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-0.00688452
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[
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0.00688452
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[
0,
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0
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[
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-0.00077891
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[
0,
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0.00077891
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[
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0
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0.00083714
],
[
0,
0,
-0.00083714
]
] | 5.531162
| 13.506661
|
pbe
| true
|
3075fa7513be85f1177fe57f21f3c430_115_Ba2Li3Pu1As4
|
[
"As",
"Ba",
"Hg",
"Sn"
] | 5
|
A2BCD
|
AsBaHg2Sn
|
Ba1 Sn1 Hg2 As1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.55815476,
0,
0
],
[
0,
5.56585545,
0
],
[
0,
0,
5.55815476
]
] |
agm001561919
|
[
[
0,
2.782927725,
0
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[
0,
0,
2.77907738
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[
2.77907738,
0,
0
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[
0,
0,
0
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[
2.77907738,
2.782927725,
2.77907738
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}]
|
[
"As",
"Hg",
"Hg",
"Sn",
"Ba"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
2.9026103,
0,
0
],
[
0,
0.5838611,
0
],
[
0,
0,
2.9026103
]
] | -12.137538
|
[
0,
0,
0,
0,
0
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[
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 2.160224
|
pbe
| true
|
360005dcdcfaa0c28093b5ba12dc7e29_123_Ba1Sn1Hg2As1
|
[
"As",
"Ba",
"Mn",
"O"
] | 11
|
A6B2C2D
|
As2Ba2MnO6
|
Ba2 Mn1 As2 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.57196547,
0,
0
],
[
-3.28598273,
5.13586682,
0.45436151
],
[
0,
-2.45222596,
5.20441461
]
] |
agm004577248
|
[
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3.285979450949671,
1.6300760995781514,
0.9286866394103067
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[
0.000003289050329256542,
1.0535647604218492,
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2.602207305
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3.285979420835625,
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4.274194012886262
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0.0000033191643752296433,
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1.3845821071137376
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[
-1.3084152292754527,
4.45350607740597,
1.7504833139997265
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[
1.9775740728239466,
-1.7698652174059692,
3.908292806000273
],
[
4.594397969275453,
-1.7698652174059692,
3.908292806000273
],
[
1.308408667176054,
4.45350607740597,
1.7504833139997265
],
[
-0.0000032838513822831704,
1.3693730392582004,
1.933764530699958
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
|
[
"Ba",
"Ba",
"Mn",
"As",
"As",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.18181818181818182,
0.18181818181818182,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.63450086,
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0
],
[
0,
1.069691,
0.0507972
],
[
0,
0.05079715,
1.1279312
]
] | -69.066169
|
[
0.007,
0.007,
3.881,
0.009,
0.009,
0.012,
-0.02,
-0.02,
-0.02,
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0.012
] |
[
[
0,
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[
0,
0.00152832,
0.00311288
],
[
0,
0,
0
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[
0,
0.00006489,
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0,
0.00014867,
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[
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[
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0.00047546
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[
0.00496301,
0.00326551,
0.00047546
],
[
0.00496301,
-0.00326551,
-0.00047546
],
[
0,
-0.00014867,
0.00134258
]
] | 4.046487
| 1.812734
|
pbe
| true
|
7276ee914bb392ed91509a03a12c65bb_12_Ba2Mn1As2O6
|
[
"As",
"Ba",
"Na",
"Ni"
] | 5
|
A2BCD
|
As2BaNaNi
|
Ba1 Na1 Ni1 As2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.87739733,
0,
0
],
[
0,
5.32989201,
0
],
[
0,
0,
4.87739733
]
] |
agm001549553
|
[
[
0,
0,
0
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[
0,
0,
2.438698665
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2.438698665,
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0
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[
0,
2.664946005,
0
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[
2.438698665,
2.664946005,
2.438698665
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Ni",
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"As",
"Ba",
"Na"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
0.36237198,
0,
0
],
[
0,
-1.7773459,
0
],
[
0,
0,
0.36237198
]
] | -19.055928
|
[
0,
0,
0,
0,
0
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[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 2.247955
|
pbe
| true
|
ce69466a1d2ae10a934fb4b337356844_123_Ba1Na1Ni1As2
|
[
"As",
"Be",
"Pb",
"Se"
] | 5
|
A2BCD
|
As2BePbSe
|
Be1 As2 Pb1 Se1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.60382871,
0,
0
],
[
0,
4.60382871,
0
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[
0,
0,
5.36814548
]
] |
agm001675979
|
[
[
2.301914355,
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2.68407274
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0,
0,
0
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[
0,
2.301914355,
0
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2.301914355,
0,
0
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[
0,
0,
2.68407274
]
] |
[{"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"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Pb",
"Be",
"As",
"As",
"Se"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
-34.23002,
0,
0
],
[
0,
-34.23002,
0
],
[
0,
0,
-23.39294
]
] | -18.954421
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000539
| 2.652623
|
pbe
| true
|
c137df386753656684e5b647862ee77f_123_Be1As2Pb1Se1
|
[
"As",
"Bi",
"F",
"N"
] | 5
|
A2BCD
|
AsBiFN2
|
Bi1 As1 N2 F1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.0810562,
0,
0
],
[
0,
4.0810562,
0
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[
0,
0,
3.97113669
]
] |
agm001717353
|
[
[
0,
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0
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[
0,
2.0405281,
0
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[
2.0405281,
0,
0
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[
2.0405281,
2.0405281,
1.985568345
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[
0,
0,
1.985568345
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"As",
"N",
"N",
"Bi",
"F"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
1.3068199,
0,
0
],
[
0,
1.3068199,
0
],
[
0,
0,
0.93050915
]
] | -25.202847
|
[
0,
0,
0,
0,
0
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[
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 1.692343
|
pbe
| true
|
41276e84e50d769f0c3523879d0b7baf_123_Bi1As1N2F1
|
[
"As",
"Br",
"Cr",
"N"
] | 5
|
A2BCD
|
AsBr2CrN
|
Cr1 As1 Br2 N1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.41065048,
0,
0
],
[
0,
4.41065048,
0
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[
0,
0,
4.61128075
]
] |
agm001681385
|
[
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[
0,
0,
2.305640375
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[
0,
2.20532524,
0
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2.20532524,
0,
0
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[
0,
0,
0
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] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Cr",
"As",
"Br",
"Br",
"N"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
0.16852073,
0,
0
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[
0,
0.16852073,
0
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[
0,
0,
0.30170503
]
] | -18.172952
|
[
0.041,
0.054,
0.024,
0.024,
-0.009
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[
[
0,
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0
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.196824
| 7.244667
|
pbe
| true
|
dd7b964040118f1c8ac4f05d7eb28160_123_Cr1As1Br2N1
|
[
"As",
"Br",
"Sb",
"Tc"
] | 5
|
A2BCD
|
AsBr2SbTc
|
Tc1 Sb1 As1 Br2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.08040004,
0,
0
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[
0,
5.08040004,
0
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[
0,
0,
4.89708235
]
] |
agm001682679
|
[
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2.54020002,
2.54020002,
2.448541175
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[
0,
0,
2.448541175
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[
0,
0,
0
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[
0,
2.54020002,
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[
2.54020002,
0,
0
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]
|
[
"Sb",
"As",
"Tc",
"Br",
"Br"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
1.2145875,
0,
0
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[
0,
1.2145875,
0
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[
0,
0,
1.1709335
]
] | -19.964854
|
[
0.11,
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1.043,
0.042,
0.042
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[
[
0,
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0
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.415386
| 6.419957
|
pbe
| true
|
8fde993d51f65ee97be053ce80882f2e_123_Tc1Sb1As1Br2
|
[
"As",
"C",
"Se",
"Tl"
] | 5
|
A2BCD
|
AsCSe2Tl
|
Tl1 As1 C1 Se2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.45006584,
0,
0
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[
0,
5.37727434,
0
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[
0,
0,
5.45006584
]
] |
agm001537669
|
[
[
2.72503292,
2.68863717,
2.72503292
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[
0,
0,
0
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[
0,
2.68863717,
0
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[
0,
0,
2.72503292
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[
2.72503292,
0,
0
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
|
[
"C",
"Tl",
"As",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
1.314945,
0,
0
],
[
0,
0.94310606,
0
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[
0,
0,
1.314945
]
] | -12.065068
|
[
0.876,
0.001,
0.467,
-0.152,
-0.192
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[
[
0,
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0
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[
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0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.245213
| 6.825953
|
pbe
| true
|
fd972e8f4c5e63f8caddae17dc077ce7_123_Tl1As1C1Se2
|
[
"As",
"Ca",
"Fe",
"Y"
] | 5
|
A2BCD
|
AsCaFeY2
|
Ca1 Y2 Fe1 As1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.38226391,
0,
0
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[
0,
5.36563043,
0
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[
0,
0,
5.38226391
]
] |
agm001492738
|
[
[
0,
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2.691131955
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[
2.691131955,
0,
0
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[
0,
0,
0
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[
0,
2.682815215,
0
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[
2.691131955,
2.682815215,
2.691131955
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"As",
"Ca",
"Fe"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.05971309,
0,
0
],
[
0,
0.02231765,
0
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[
0,
0,
0.05971309
]
] | -26.176095
|
[
0.047,
0.034,
0.006,
0.036,
0.003
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[
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.489393
| 8.018004
|
pbe
| true
|
a7cf02ead763d04cc8a3a82264831e2b_123_Ca1Y2Fe1As1
|
[
"As",
"Ca",
"Pa",
"U"
] | 12
|
A6B3C2D
|
As6Ca3PaU2
|
Ca3 U2 Pa1 As6
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.21474502,
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0.00071318
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[
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6.24870192,
0.00071318
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[
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6.86078026
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] |
agm004648306
|
[
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3.43110331
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4.808398921029948,
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3.6018957272884102,
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5.266166372433559
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2.4105775020979365,
4.173888188537748,
1.5939793130150763
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1.5960402475664421
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4.1648178297852425,
5.266166372433559
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[
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5.268227306984924
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[
2.3941241276317435,
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1.5960402475664421
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] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
|
[
"Ca",
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"Ca",
"U",
"U",
"Pa",
"As",
"As",
"As",
"As",
"As",
"As"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
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0.16666666666666666
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[
[
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[
0.00602454,
0.8748511,
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[
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] | -78.370649
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2.178,
2.178,
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[
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[
-0.00105081,
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] | 4.9189
| 17.182858
|
pbe
| true
|
525365d5ab51c5291616a993f612db60_12_Ca3U2Pa1As6
|
[
"As",
"Cd",
"I",
"Te"
] | 5
|
A2BCD
|
AsCdI2Te
|
Cd1 Te1 As1 I2
| 4
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
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5.7582859,
0
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[
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agm001713630
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[
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2.87914295,
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
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2023-11-16 06:57:59
|
[
0.2,
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[
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[
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[
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[
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[
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[
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| 3.960444
|
pbe
| true
|
ffe882e7f235e1e26ce00c0925fa7ee6_123_Cd1Te1As1I2
|
[
"As",
"Cd",
"O",
"Sn"
] | 12
|
A8B2CD
|
As2CdO8Sn
|
Cd1 Sn1 As2 O8
| 4
|
[
1,
1,
1
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|
[
[
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agm004916196
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[
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5.222207383168738
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|
[
"Cd",
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"As",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
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2023-11-16 06:57:59
|
[
0.16666666666666666,
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[
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[
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| -0.053585
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pbe
| true
|
7c3ed506ea600f9d433ffc9ddd206d65_164_Cd1Sn1As2O8
|
[
"As",
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"Li",
"Tb"
] | 8
|
A4B2CD
|
As4Ce2LiTb
|
Li1 Tb1 Ce2 As4
| 4
|
[
1,
1,
1
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[
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6.56208067
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agm004837142
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|
[
"Li",
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"As",
"As",
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] |
2023-11-16 06:57:59
|
[
0.5,
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0.125,
0.125
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[
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[
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[
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[
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0.28,
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[
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[
0,
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| -0.052336
|
pbe
| true
|
a9c18c6c9c63479189daf915b09be4d2_10_Li1Tb1Ce2As4
|
[
"As",
"Cl",
"Na",
"Ru"
] | 5
|
A2BCD
|
AsClNaRu2
|
Na1 As1 Ru2 Cl1
| 4
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
0,
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0
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[
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agm001444857
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[
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2.28461903
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
|
[
"Ru",
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2023-11-16 06:57:59
|
[
0.2,
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0.4
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[
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[
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[
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|
[
1.239,
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0.112
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[
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[
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0
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[
0,
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[
0,
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0
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] | 3.030123
| 4.076854
|
pbe
| true
|
c1d49d05fcbb357cf0920a55e26f53d9_123_Na1As1Ru2Cl1
|
[
"As",
"Co",
"Pd",
"Se"
] | 5
|
A2BCD
|
As2CoPdSe
|
Co1 As2 Pd1 Se1
| 4
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
0,
4.75344567,
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[
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agm001676465
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[
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"As",
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"Co",
"Se",
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2023-11-16 06:57:59
|
[
0.4,
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0.2,
0.2
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[
[
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0,
0
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[
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0
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[
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0,
3.699015
]
] | -19.861165
|
[
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[
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[
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[
0,
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0
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[
0,
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] | -0.01298
| 6.385415
|
pbe
| true
|
d6f6f652a81105b818e88c7d4d9203aa_123_Co1As2Pd1Se1
|
[
"As",
"Co",
"Si",
"Zn"
] | 5
|
A2BCD
|
AsCoSi2Zn
|
Zn1 Co1 Si2 As1
| 4
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
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4.81541685,
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[
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4.60067025
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agm001472911
|
[
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[
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[
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Si",
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"Co",
"Zn"
] |
2023-11-16 06:57:59
|
[
0.2,
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0.4,
0.2
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[
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0,
0
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[
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5.752038,
0
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[
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]
] | -17.539301
|
[
-0.01,
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0.003
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[
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[
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0
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[
0,
0,
0
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[
0,
0,
0
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] | 1.877931
| 3.020434
|
pbe
| true
|
db3deffeb5869f5b358f3fc22e91985c_123_Zn1Co1Si2As1
|
[
"As",
"Co",
"Y",
"Zr"
] | 5
|
A2BCD
|
AsCoYZr2
|
Y1 Zr2 Co1 As1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.13312516,
0,
0
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[
0,
5.13312516,
0
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[
0,
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4.39563775
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] |
agm001425066
|
[
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[
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[
0,
0,
2.197818875
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[
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2.56656258,
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[
2.56656258,
0,
0
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] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"As",
"Co",
"Zr",
"Zr"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
1.5044538,
0,
0
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[
0,
1.5044538,
0
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[
0,
0,
1.7824495
]
] | -35.094121
|
[
0.149,
0.012,
1.246,
0.183,
0.183
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[
[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.003487
| 7.429031
|
pbe
| true
|
1c525154788c9b3dd373cae4a4046d01_123_Y1Zr2Co1As1
|
[
"As",
"Cr",
"Mn",
"Pd"
] | 5
|
A2BCD
|
AsCr2MnPd
|
Mn1 Cr2 As1 Pd1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.59384533,
0,
0
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[
0,
4.72907362,
0
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[
0,
0,
4.59384533
]
] |
agm001476921
|
[
[
0,
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2.296922665
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0,
0
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[
0,
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0
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[
2.296922665,
2.36453681,
2.296922665
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[
0,
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0
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] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Cr",
"Cr",
"As",
"Mn",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
5.0454593,
0,
0
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[
0,
5.3302054,
0
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[
0,
0,
5.0454593
]
] | -34.410307
|
[
3.369,
2.942,
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4.28,
0.127
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[
[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 11.404689
| 5.164947
|
pbe
| true
|
c102a15de670f96f1b59e4e6040382ef_123_Mn1Cr2As1Pd1
|
[
"As",
"Cr",
"Pt",
"Ta"
] | 5
|
A2BCD
|
AsCrPtTa2
|
Ta2 Cr1 As1 Pt1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.87588278,
0,
0
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[
0,
4.82068944,
0
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[
0,
0,
4.87588278
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] |
agm001566574
|
[
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0,
2.41034472,
0
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2.41034472,
2.43794139
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[
0,
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[
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2.43794139
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[
2.43794139,
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]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
|
[
"Cr",
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"Ta"
] |
2023-11-16 06:57:59
|
[
0.2,
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[
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2.5535545
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[
3.455,
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[
0,
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[
0,
0,
0
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| 5.092968
|
pbe
| true
|
93587d30b44d7ae20d50f70d259b4700_123_Ta2Cr1As1Pt1
|
[
"As",
"Cr",
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"Tl"
] | 5
|
A2BCD
|
AsCrSe2Tl
|
Tl1 Cr1 As1 Se2
| 4
|
[
1,
1,
1
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|
[
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agm001787301
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|
[
"Cr",
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"Se",
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2023-11-16 06:57:59
|
[
0.2,
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[
2.31,
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[
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0,
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| 5.8942
|
pbe
| true
|
96ee7a213cecf64271b930c01ec3a57f_123_Tl1Cr1As1Se2
|
[
"As",
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|
A2BCD
|
AsCsRe2Ru
|
Cs1 Re2 As1 Ru1
| 4
|
[
1,
1,
1
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[
[
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agm001472042
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|
[
"Cs",
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2023-11-16 06:57:59
|
[
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[
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17.300837,
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33.107586
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[
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2.204
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| 6.414249
|
pbe
| true
|
1da6eee5a6959e13074fc0d5a7532ee1_123_Cs1Re2As1Ru1
|
[
"As",
"Cu",
"La",
"Se"
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|
A2BCD
|
As2CuLaSe
|
La1 Cu1 As2 Se1
| 4
|
[
1,
1,
1
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[
[
4.72328731,
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4.72328731,
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agm001676638
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|
[
"As",
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2023-11-16 06:57:59
|
[
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| 2.928972
|
pbe
| true
|
c14eff710083364675b4ca5ffb179165_123_La1Cu1As2Se1
|
[
"As",
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] | 5
|
A2BCD
|
As2CuMnSe
|
Mn1 Cu1 As2 Se1
| 4
|
[
1,
1,
1
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[
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4.57540338,
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agm001677583
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[
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|
[
"As",
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2023-11-16 06:57:59
|
[
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| 3.220267
|
pbe
| true
|
6ad40e2dfdf421d8590f4fc12afebb17_123_Mn1Cu1As2Se1
|
[
"As",
"Cu",
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] | 5
|
A2BCD
|
As2CuScSe
|
Sc1 Cu1 As2 Se1
| 4
|
[
1,
1,
1
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|
[
[
5.09676312,
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0,
5.09676312,
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agm001678640
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[
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|
[
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2023-11-16 06:57:59
|
[
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0.2
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[
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| 4.454677
|
pbe
| true
|
c584e13f3d7e6c7af335a2d70dc591f2_123_Sc1Cu1As2Se1
|
[
"As",
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"S"
] | 16
|
A8B4C3D
|
AsDy3Na4S8
|
Na4 Dy3 As1 S8
| 4
|
[
1,
1,
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[
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agm004727745
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]
|
[
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2023-11-16 06:57:59
|
[
0.0625,
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0.25,
0.5
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[
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[
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0,
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|
pbe
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|
57678dd683a6bfac67ed4317cb1605ce_166_Na4Dy3As1S8
|
[
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|
A4B2CD
|
As4ErHfNd2
|
Nd2 Er1 Hf1 As4
| 4
|
[
1,
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1
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[
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agm004838268
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|
[
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2023-11-16 06:57:59
|
[
0.5,
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0.25
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[
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[
0,
0.811924,
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[
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0.86551666
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0.00192616
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[
0,
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| 1.430605
|
pbe
| true
|
bc0d29e959daa25e1b8b23547d760bd7_10_Nd2Er1Hf1As4
|
[
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|
A4B2CD
|
As4ErLa2Nd
|
La2 Nd1 Er1 As4
| 4
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[
1,
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1
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[
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agm004839052
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[
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2023-11-16 06:57:59
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A5BCD
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AsErMoO5
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Er2 Mo2 As2 O10
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2023-11-16 06:57:59
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[
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| true
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f812db5196fbec834adfd74af1cc29a2_15_Er2Mo2As2O10
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[
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A6B3C2D
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As6Er3Th2Tm
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Er3 Tm1 Th2 As6
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"Er",
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2023-11-16 06:57:59
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| 3.901238
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pbe
| true
|
b3c6a753059fd73b18d1f86b800b4237_12_Er3Tm1Th2As6
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[
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A2BCD
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AsF2HgSc
|
Sc1 Hg1 As1 F2
| 4
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agm001665476
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[
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2023-11-16 06:57:59
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pbe
| true
|
0c5cf73cc98ad182319e85347c9fedd8_123_Sc1Hg1As1F2
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[
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A2BCD
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AsFeH2W
|
Fe1 As1 H2 W1
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agm001477845
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2023-11-16 06:57:59
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pbe
| true
|
ab12abd9bb97904578db7e4a987b81d4_123_Fe1As1H2W1
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[
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A2BCD
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As2FeHSe
|
Fe1 As2 H1 Se1
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[
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agm001677033
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|
[
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2023-11-16 06:57:59
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| 4.836516
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| true
|
c07c9be63c30addae7c7fe854277b022_123_Fe1As2H1Se1
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[
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A2BCD
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AsFe2TiW
|
Ti1 Fe2 As1 W1
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[
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agm001431572
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|
[
"As",
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2023-11-16 06:57:59
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[
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[
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| 8.858314
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pbe
| true
|
e5af35bed38079b93b98e05d20b1cb3f_123_Ti1Fe2As1W1
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[
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A4B2CD
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AsGaI2La4
|
La4 Ga1 As1 I2
| 4
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[
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[
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agm004836627
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|
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2023-11-16 06:57:59
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| 5.016619
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pbe
| true
|
3a6e99fa0ae438988b8e5c553224d520_10_La4Ga1As1I2
|
[
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|
A6B2CD
|
AsGa2O6Rb
|
Rb2 Ga4 As2 O12
| 4
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[
1,
1,
1
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[
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agm004976009
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"O",
"O",
"O",
"O",
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"O",
"O",
"O",
"O",
"O"
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2023-11-16 06:57:59
|
[
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[
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[
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| 0
|
pbe
| true
|
2cb5ff8120f0ef55ce7bbf3b3ed9fbf1_15_Rb2Ga4As2O12
|
[
"As",
"Ga",
"Rb",
"Te"
] | 5
|
A2BCD
|
As2GaRbTe
|
Rb1 Ga1 Te1 As2
| 4
|
[
1,
1,
1
] | 3
|
[
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agm001568492
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"As",
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2023-11-16 06:57:59
|
[
0.4,
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[
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| 5.232256
|
pbe
| true
|
6c9ada1b54de0dc4eebba3eec5c3f08b_123_Rb1Ga1Te1As2
|
[
"As",
"Ga",
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"Si"
] | 5
|
A2BCD
|
As2GaSeSi
|
Ga1 Si1 As2 Se1
| 4
|
[
1,
1,
1
] | 3
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[
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agm001678735
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|
[
"As",
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2023-11-16 06:57:59
|
[
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[
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[
0,
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[
0,
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| 4.009012
|
pbe
| true
|
40d566786fc4b0ac2ed5e556b8e72b60_123_Ga1Si1As2Se1
|
[
"As",
"Ge",
"Hg",
"Se"
] | 5
|
A2BCD
|
As2GeHgSe
|
Hg1 Ge1 As2 Se1
| 4
|
[
1,
1,
1
] | 3
|
[
[
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agm001676949
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}]
|
[
"As",
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2023-11-16 06:57:59
|
[
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[
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[
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[
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| 4.717089
|
pbe
| true
|
6bca321756338ed88afe3eddbd1572e1_123_Hg1Ge1As2Se1
|
[
"As",
"Ge",
"La",
"Se"
] | 16
|
A8B4C3D
|
As3GeLa8Se4
|
La8 Ge1 As3 Se4
| 4
|
[
1,
1,
1
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|
[
[
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[
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8.72159093,
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agm004711176
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[
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[
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
|
[
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"La",
"La",
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"La",
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"As",
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"Se",
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2023-11-16 06:57:59
|
[
0.1875,
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0.5,
0.25
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[
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[
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[
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[
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[
0,
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[
0,
0,
0
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] | -0
| 4.05544
|
pbe
| true
|
f6d5202d33bd5d310c3a968c2098579e_166_La8Ge1As3Se4
|
[
"As",
"Ge",
"Pr",
"Te"
] | 12
|
A6B3C2D
|
As3Ge2Pr6Te
|
Pr6 Ge2 Te1 As3
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.31568596,
0,
0
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[
0,
8.78663264,
0.29854684
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[
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9.16227073
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] |
agm004595240
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[
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2.15784298,
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6.204432682940828
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[
3.348902332890305e-17,
6.484917531345159,
3.256384887059172
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Pr",
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"Pr",
"Pr",
"Pr",
"Pr",
"Ge",
"Ge",
"Te",
"As",
"As",
"As"
] |
2023-11-16 06:57:59
|
[
0.25,
0.16666666666666666,
0.5,
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[
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[
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[
0,
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[
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[
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[
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[
0,
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[
0,
0.0026729,
0.00068497
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] | -0.000023
| 5.046309
|
pbe
| true
|
110f55dddc239b6e386ae621dbf8d568_12_Pr6Ge2Te1As3
|
[
"As",
"Hg",
"N",
"S"
] | 5
|
A2BCD
|
AsHgNS2
|
Hg1 As1 S2 N1
| 4
|
[
1,
1,
1
] | 3
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[
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agm001771274
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[
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2023-11-16 06:57:59
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| 2.892558
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pbe
| true
|
a9e35ab3507e21a98b986e0d9fbabd28_123_Hg1As1S2N1
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[
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A2BCD
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As2HgNaY
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Na1 Y1 Hg1 As2
| 4
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agm001587233
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2023-11-16 06:57:59
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pbe
| true
|
cf7ab02a7ffa7e0e10876c5ffd608472_123_Na1Y1Hg1As2
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[
"As",
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A6B3C2D
|
As6HoLa3Th2
|
La3 Ho1 Th2 As6
| 4
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[
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agm004619140
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2023-11-16 06:57:59
|
[
0.5,
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| 2.579654
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pbe
| true
|
14c4d83b3c595a399deda2e8b710fb3a_12_La3Ho1Th2As6
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[
"As",
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|
A2BCD
|
AsInIr2Zr
|
Zr1 In1 As1 Ir2
| 4
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[
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agm001448222
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|
[
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2023-11-16 06:57:59
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| 6.443431
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pbe
| true
|
705a88253b7cda4e21e40dd2058fb5e0_123_Zr1In1As1Ir2
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[
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A2BCD
|
AsIrO2W
|
As1 Ir1 W1 O2
| 4
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[
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1
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[
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agm001554582
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
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[
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2023-11-16 06:57:59
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[
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| 2.434686
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pbe
| true
|
2657b56846f5bd34d63aed7e70977a88_123_As1Ir1W1O2
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[
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|
A6B2CD
|
AsIr6PPa2
|
Pa4 As2 P2 Ir12
| 4
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[
1,
1,
1
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[
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agm004940037
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2023-11-16 06:57:59
|
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| 15.162658
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pbe
| true
|
104b72418d8e27159c318b8e62ba940a_59_Pa4As2P2Ir12
|
[
"As",
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|
A2BCD
|
AsKSe2Zr
|
K1 Zr1 As1 Se2
| 4
|
[
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1,
1
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[
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agm001788041
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|
[
"K",
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2023-11-16 06:57:59
|
[
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0.2
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[
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0,
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[
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0
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[
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[
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0,
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| 7.101418
|
pbe
| true
|
e615b32ba0d0725ff2c16b76ae6c0c5a_123_K1Zr1As1Se2
|
[
"As",
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|
A2B2CD
|
As2LaNaNi2
|
Na1 La1 Ni2 As2
| 4
|
[
1,
1,
1
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|
[
[
4.06069037,
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2.03034519,
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agm002347387
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
|
[
"Ni",
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2023-11-16 06:57:59
|
[
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[
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[
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[
[
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[
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-0.00279158
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[
0,
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0
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[
0,
0,
0
]
] | -0
| 6.109725
|
pbe
| true
|
dea8778e72338e0333066f6ddaf49b4a_164_Na1La1Ni2As2
|
[
"As",
"La",
"P",
"S"
] | 12
|
A6B3C2D
|
AsLa6P3S2
|
La6 As1 P3 S2
| 4
|
[
1,
1,
1
] | 3
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[
[
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0,
0
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[
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8.50573337,
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agm004610216
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[
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[
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2.0265188862754115,
3.10990740044481
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
|
[
"La",
"La",
"La",
"La",
"La",
"La",
"As",
"P",
"P",
"P",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.08333333333333333,
0.5,
0.25,
0.16666666666666666
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[
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0
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[
0,
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[
0,
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0.4331537
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[
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[
0,
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[
0,
0.0024175,
0.00243649
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| 3.772468
|
pbe
| true
|
cc3306e7c5d38f82a646d97f51f3d2c3_12_La6As1P3S2
|
[
"As",
"Li",
"N",
"Se"
] | 5
|
A2BCD
|
AsLiNSe2
|
Li1 As1 Se2 N1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.30411812,
0,
0
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[
0,
5.30411812,
0
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[
0,
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3.56639215
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agm001795659
|
[
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[
0,
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[
0,
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1.783196075
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"As",
"Li",
"Se",
"Se",
"N"
] |
2023-11-16 06:57:59
|
[
0.2,
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0.2,
0.4
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[
[
0.39150065,
0,
0
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[
0,
0.39150065,
0
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[
0,
0,
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] | -19.564537
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[
0,
0,
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0
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[
[
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[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000202
| 3.158154
|
pbe
| true
|
62d91efbb88a9453bcd5a1689b02452a_123_Li1As1Se2N1
|
[
"As",
"Li",
"Rh",
"Sm"
] | 10
|
A4B3C2D
|
As3LiRh4Sm2
|
Li1 Sm2 As3 Rh4
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.14015641,
0,
0
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[
0,
4.14015641,
0
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[
0,
0,
10.33548822
]
] |
agm004536341
|
[
[
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2.070078205,
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[
2.070078205,
0,
6.5140350901782735
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[
0,
2.070078205,
3.821453129821727
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"Li",
"Sm",
"Sm",
"As",
"As",
"As",
"Rh",
"Rh",
"Rh",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.3,
0.1,
0.4,
0.2
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[
[
5.526638,
0,
0
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[
0,
5.526638,
0
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[
0,
0,
5.548278
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[
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[
[
0,
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[
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[
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[
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[
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[
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0,
0
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[
0,
0,
-0.00708707
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[
0,
0,
0.00708707
]
] | -0.000002
| 2.966064
|
pbe
| true
|
6826d0909fd61028728cce0283ed8a8e_115_Li1Sm2As3Rh4
|
[
"As",
"Lu",
"O",
"Sb"
] | 8
|
ABCD
|
AsLuOSb
|
As1 Lu1 O1 Sb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.014004,
0,
0
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[
0,
4.014004,
0
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[
0,
0,
10.224898
]
] |
oqmd-3185909
|
[
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3.0105100000000005,
1.0035099999999997,
5.112440000000006
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[
1.0035099999999997,
3.0105100000000005,
5.112440000000006
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
|
[
"As",
"As",
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"Lu",
"O",
"O",
"Sb",
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] |
2024-11-01 00:00:00
|
[
0.25,
0.25,
0.25,
0.25
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[
[
7.20112,
0,
0
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[
0,
7.20112,
0
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[
0,
0,
21.34977
]
] | -47.532
|
[
0,
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0,
0
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[
[
0,
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0.043162
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[
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[
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[
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0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.002219
| null |
pbe
| true
|
8dc353ad3aae8bedb50db716643c4555_129_Lu2Sb2As2O2
|
[
"As",
"Mg",
"Na",
"O"
] | 11
|
A6B2C2D
|
As2MgNa2O6
|
Na2 Mg1 As2 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.46962694,
0.00000862,
0
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[
-2.73482093,
4.73683157,
0
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[
0,
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5.94754453
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] |
agm004577199
|
[
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2.4210219289150077
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1.661710747923285,
4.699995261719644
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[
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3.3765952755157804,
4.699995261719644
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4.435365736560934,
4.699995261719644
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[
2.1235295743571054,
3.0751294420767143,
1.2475492682803562
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[
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1.2475492682803562
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[
1.7447219384666464,
0.30147445343906587,
1.2475492682803562
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] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Na",
"Na",
"Mg",
"As",
"As",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.18181818181818182,
0.09090909090909091,
0.18181818181818182,
0.5454545454545454
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[
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0.00000717,
0
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[
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0
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[
0,
0,
1.0954043
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] | -59.944642
|
[
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0.002,
-0.003,
0.245,
0.245,
0.177,
0.177,
0.177,
0.177,
0.177,
0.177
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[
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[
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[
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0,
0
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[
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[
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[
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[
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[
-0.00006559,
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0.00084374
],
[
-0.00122721,
0.00078426,
0.00084374
]
] | 1.995402
| 1.583292
|
pbe
| true
|
d2c42d5d3b1f6258fd1dc508ed393348_147_Na2Mg1As2O6
|
[
"As",
"Mo",
"Rb",
"Rh"
] | 5
|
A2BCD
|
AsMo2RbRh
|
Rb1 Mo2 As1 Rh1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.81754481,
0,
0
],
[
0,
5.79762324,
0
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[
0,
0,
4.81754481
]
] |
agm001582215
|
[
[
0,
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2.408772405
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2.408772405,
0,
0
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[
0,
0,
0
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[
2.408772405,
2.89881162,
2.408772405
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[
0,
2.89881162,
0
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Mo",
"Mo",
"Rh",
"As",
"Rb"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
2.460254,
0,
0
],
[
0,
3.2056832,
0
],
[
0,
0,
2.460254
]
] | -26.315313
|
[
1.514,
1.772,
-0.068,
-0.371,
-0.008
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[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.088384
| 4.904935
|
pbe
| true
|
3e68f2db5199cb18c3aa6d0a8549d76b_123_Rb1Mo2As1Rh1
|
[
"As",
"N",
"Te",
"Y"
] | 5
|
A2BCD
|
AsNTe2Y
|
Y1 Te2 As1 N1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.60740537,
0,
0
],
[
0,
5.60740537,
0
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[
0,
0,
3.80771523
]
] |
agm001801639
|
[
[
2.803702685,
2.803702685,
1.903857615
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[
0,
0,
0
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[
0,
2.803702685,
0
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[
2.803702685,
0,
0
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[
0,
0,
1.903857615
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"As",
"Te",
"Te",
"N"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
0.33068964,
0,
0
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[
0,
0.33068964,
0
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[
0,
0,
0.1770012
]
] | -24.92396
|
[
0,
0,
0,
0,
0
] |
[
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000081
| 4.441353
|
pbe
| true
|
ba9122f4bb98312d9ebcc0210c9aff1c_123_Y1Te2As1N1
|
[
"As",
"Na",
"Ni",
"O"
] | 16
|
A8B4C3D
|
AsNa4Ni3O8
|
Na4 Ni3 As1 O8
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.0415821,
0,
0
],
[
0,
6.3632608,
0.20364224
],
[
-3.02079105,
-3.00646613,
4.28307864
]
] |
agm004712918
|
[
[
3.02079105,
0,
0
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[
1.510395525,
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2.14153932
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[
0,
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2023-11-16 06:57:59
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64001a8be1a29d9c94c9a6e257eaf5a5_166_Na4Ni3As1O8
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A8B3C3D
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AsNa3O8Zn3
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Na3 Zn3 As1 O8
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2023-11-16 06:57:59
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A2BCD
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AsNi2PdS
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Ni2 As1 Pd1 S1
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agm001573350
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[
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2023-11-16 06:57:59
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pbe
| true
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979d66c5c8f1eed1dbd8042ee6451ddf_123_Ni2As1Pd1S1
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[
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ABCD
|
AsNpRuS
|
Np2 As2 Ru2 S2
| 4
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[
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agm005203055
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[
"Np",
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2023-11-16 06:57:59
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pbe
| true
|
415241144e6e6bee97569ce2578914bc_129_Np2As2Ru2S2
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[
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A4B2CD
|
As4NpTbTh2
|
Tb1 Th2 Np1 As4
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[
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agm004840674
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2023-11-16 06:57:59
|
[
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| 13.476577
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pbe
| true
|
66f8311683ef6e4f26edb025fc8a6c3a_10_Tb1Th2Np1As4
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[
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|
A6B3C2D
|
As3OP2Pm6
|
Pm6 As3 P2 O1
| 4
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[
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[
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agm004595978
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2023-11-16 06:57:59
|
[
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|
pbe
| true
|
6f774220b6f86be85b5f48de63d39b5c_12_Pm6As3P2O1
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[
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|
A5BCD
|
AsO5PbPd
|
As2 Pd2 Pb2 O10
| 4
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1,
1
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[
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agm005065871
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2023-11-16 06:57:59
|
[
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pbe
| true
|
da5bbec7745b709fc88399b61f4a6cfc_15_As2Pd2Pb2O10
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[
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|
A8B2CD
|
As2O8SiSr
|
Sr1 Si1 As2 O8
| 4
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[
1,
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1
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agm004876633
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2023-11-16 06:57:59
|
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| 0
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pbe
| true
|
7c77652d8a844504267bb906c45198d1_147_Sr1Si1As2O8
|
[
"As",
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|
A2BCD
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AsOsReSe2
|
Re1 As1 Os1 Se2
| 4
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agm001789110
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[
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2023-11-16 06:57:59
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[
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| 5.154919
|
pbe
| true
|
360c27fd7eb60b3f968065639db8a723_123_Re1As1Os1Se2
|
[
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|
A2BCD
|
As2SbSeV
|
V1 Sb1 As2 Se1
| 4
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[
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[
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agm001679159
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|
[
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2023-11-16 06:57:59
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| 5.604199
|
pbe
| true
|
1c047931d733763d63224390c58a46b6_123_V1Sb1As2Se1
|
[
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|
A2BCD
|
Au2BCoRh
|
Co1 B1 Rh1 Au2
| 4
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[
1,
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1
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[
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agm001530898
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|
[
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2023-11-16 06:57:59
|
[
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| 5.311713
|
pbe
| true
|
f64ad65750b00e264fdb3ea33ca58c87_123_Co1B1Rh1Au2
|
[
"Au",
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|
A6B2CD
|
AuBCs2I6
|
Cs2 B1 Au1 I6
| 4
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[
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[
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agm004475981
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[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
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2023-11-16 06:57:59
|
[
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[
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| 0
|
pbe
| true
|
430d3fa428eb934e96a744ce39139a2e_139_Cs2B1Au1I6
|
[
"Au",
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"Cd",
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|
A2BCD
|
AuBaCdTa2
|
Ba1 Ta2 Cd1 Au1
| 4
|
[
1,
1,
1
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|
[
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agm001421489
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Cd",
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2023-11-16 06:57:59
|
[
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[
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[
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| 7.794459
|
pbe
| true
|
da986efa56548f255abdf9867e764407_123_Ba1Ta2Cd1Au1
|
[
"Au",
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|
A6B2CD
|
AuBa2GePd6
|
Ba2 Ge1 Pd6 Au1
| 4
|
[
1,
1,
1
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|
[
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agm004921966
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|
[
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2023-11-16 06:57:59
|
[
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[
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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