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[
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A2BC
|
CdPRe2
|
Cd1 Re2 P1
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1,
1
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agm004176939
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|
[
"Cd",
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2023-11-16 06:57:59
|
[
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pbe
| true
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5b661642267e29890098681c44ac66da_8_Cd1Re2P1
|
[
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|
A2BC
|
CdPRh2
|
Cd1 P1 Rh2
| 3
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[
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[
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|
[
"Cd",
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2023-11-16 06:57:59
|
[
0.25,
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pbe
| true
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925525c185a2423c4250410cf1111478_139_Cd1P1Rh2
|
[
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|
A6B2CD
|
Br6CsRb2Tl
|
Cs1 Rb2 Tl1 Br6
| 4
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[
1,
1,
1
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|
[
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agm003205908
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
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"Br",
"Br",
"Br",
"Br",
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] |
2023-11-16 06:57:59
|
[
0.6,
0.1,
0.2,
0.1
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[
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[
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[
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| 0
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pbe
| true
|
491b5f544f63470875b9e243ce02ca58_225_Cs1Rb2Tl1Br6
|
[
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] | 20
|
A12B4C3D
|
KLi4O12Pu3
|
K1 Li4 Pu3 O12
| 4
|
[
1,
1,
1
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|
[
[
7.11009956,
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agm004708050
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
|
[
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
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] |
2023-11-16 06:57:59
|
[
0.05,
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0.6,
0.15
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[
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[
0.06547541,
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] | -156.644402
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[
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[
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] | 5.000001
| 9.74919
|
pbe
| true
|
9c5d827d2362bdc8d6cf4455dcf8f93a_155_K1Li4Pu3O12
|
[
"C",
"Ce",
"Hg",
"Y"
] | 5
|
A2BCD
|
CCe2HgY
|
Ce2 Y1 Hg1 C1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.93324042,
-1e-8,
-1e-8
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[
1.7e-7,
4.93324505,
-0.00001666
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[
8e-8,
0.00017436,
4.96892384
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] |
agm004988746
|
[
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[
4.4399721969999997e-7,
0.00004080703815460001,
0.00025937768666890005
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] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ce",
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"Y",
"Hg",
"C"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
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[
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1e-8,
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[
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[
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] | -29.228423
|
[
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[
[
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[
0,
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[
0,
6e-8,
0.00167326
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[
0,
-3e-8,
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] | 0.795739
| 9.437705
|
pbe
| true
|
2d77c399ed594fb61c2c6bc879f382ba_123_Ce2Y1Hg1C1
|
[
"Cd",
"Pa",
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] | 3
|
ABC
|
CdPaSb
|
Pa1 Cd1 Sb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.83568314,
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[
0,
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] |
agm001832203
|
[
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[
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3.4146074310199643
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] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
|
[
"Sb",
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"Cd"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
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[
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0,
0
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0,
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0
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[
0,
0,
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] | -14.564722
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[
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[
[
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0,
0,
0.00042935
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[
0,
0,
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] | 0.949081
| 5.379695
|
pbe
| true
|
ebea6f89e84548365111153ad90af9a6_107_Pa1Cd1Sb1
|
[
"Ga",
"Hg",
"In"
] | 11
|
A5B3C3
|
Ga3Hg3In5
|
In5 Ga3 Hg3
| 3
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
0,
8.87950756,
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0,
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] |
agm005679890
|
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] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"In",
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] |
2023-11-16 06:57:59
|
[
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[
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0,
4.153095,
0.00000115
],
[
0,
0.00000115,
4.1530957
]
] | -22.875128
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
-0.00096723,
0.00055843
],
[
0,
0.00096723,
0.00055843
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[
0,
0,
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[
0,
0.00450004,
-0.0025981
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[
0,
0,
0.0051962
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[
0,
-0.00450004,
-0.0025981
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[
0,
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0.00134229
],
[
0,
0.00232492,
0.00134229
],
[
0,
0,
-0.00268458
]
] | 0
| 3.919416
|
pbe
| true
|
3fa65835488c01b773bb03791495d2b8_189_In5Ga3Hg3
|
[
"Ba",
"Te",
"Tl"
] | 4
|
A2BC
|
BaTe2Tl
|
Ba1 Tl1 Te2
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.91054394,
0,
0
],
[
0,
4.83185676,
0.00777344
],
[
0,
-0.01114346,
4.90498485
]
] |
agm004414217
|
[
[
3.45527197,
4.227712487426798,
4.249926046679304
],
[
0,
4.2132976190479585,
4.205575316040994
],
[
3.45527197,
1.8159864702733477,
1.7897885456289861
],
[
0,
1.794786624821894,
2.036605865622829
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Ba",
"Te",
"Te",
"Tl"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
0.7453132,
0,
0
],
[
0,
0.72883594,
-0.01375294
],
[
0,
-0.01375303,
0.66296977
]
] | -14.132117
|
[
0,
0,
0,
0
] |
[
[
0,
-0.0031745,
-0.00124781
],
[
0,
-0.00051068,
0.0034831
],
[
0,
-0.00038507,
-0.00167735
],
[
0,
0.00407025,
-0.00055793
]
] | 0
| 3.053543
|
pbe
| true
|
83f86977bda3288bd1cca0cc720f6b72_6_Ba1Tl1Te2
|
[
"K",
"Li",
"Pb",
"Sb"
] | 5
|
A2BCD
|
KLiPbSb2
|
K1 Li1 Sb2 Pb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.03789119,
0,
0
],
[
0,
5.03789119,
0
],
[
-2.5189456,
-2.5189456,
6.50695434
]
] |
agm005022294
|
[
[
0,
0,
0
],
[
-2.4999999848063226e-9,
2.5189455924999997,
3.25347717
],
[
2.518945568659491,
2.518945568659491,
1.4979697977144606
],
[
2.1340508838654767e-8,
2.1340508838654767e-8,
5.00898454228554
],
[
2.5189455924999997,
-2.4999999848063226e-9,
3.25347717
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
|
[
"K",
"Li",
"Sb",
"Sb",
"Pb"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
1.5334924,
0,
0
],
[
0,
1.5334924,
0
],
[
0,
0,
1.5216702
]
] | -16.645341
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00490743
],
[
0,
0,
-0.00490743
],
[
0,
0,
0
]
] | 0
| 0.078238
|
pbe
| true
|
23080c913d74baf1267130b324239331_119_K1Li1Sb2Pb1
|
[
"Ba",
"Tl",
"W"
] | 8
|
A2BC
|
BaTlW2
|
Ba2 Tl2 W4
| 3
|
[
1,
1,
1
] | 3
|
[
[
8.54009735,
0,
0
],
[
0,
8.54009735,
0
],
[
4.27004868,
4.27004868,
2.87193752
]
] |
agm002798220
|
[
[
0,
0,
0
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[
8.5400973525,
4.2700486775,
1.43596876
],
[
4.270048675,
4.270048675,
0
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[
4.2700486775,
8.5400973525,
1.43596876
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[
6.7832297200216285,
2.13502433875,
0.71798438
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[
1.7568676324783712,
6.40507301375,
0.71798438
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[
6.40507301625,
6.026916309978371,
2.15395314
],
[
10.67512169125,
11.053278397521629,
2.15395314
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Tl",
"Tl",
"Ba",
"Ba",
"W",
"W",
"W",
"W"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
4.0018554,
0,
0
],
[
0,
4.0018554,
0
],
[
0,
0,
3.8249364
]
] | -44.450182
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0.00121555,
0,
0
],
[
-0.00121555,
0,
0
],
[
0,
-0.00121555,
0
],
[
0,
0.00121555,
0
]
] | 0.000497
| 11.653327
|
pbe
| true
|
949f1b70e1ea353bb3b9fbdeb68f005e_122_Ba2Tl2W4
|
[
"Ga",
"Ir",
"Sr"
] | 12
|
A4BC
|
Ga4IrSr
|
Sr2 Ga8 Ir2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.12307387,
0,
0
],
[
0,
7.34230457,
0
],
[
0,
0,
7.92291793
]
] |
agm002151260
|
[
[
0,
2.794220687798902,
1.9807294825
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[
0,
4.548083882201097,
5.9421884474999995
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[
0,
5.970216322825312,
1.9807294825
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[
0,
1.372088247174688,
5.9421884474999995
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[
0,
0,
0
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[
2.061536935,
2.249858408980726,
4.498157267119842
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[
2.061536935,
0.3801147053181393,
1.9807294825
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[
0,
0,
3.961458965
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[
2.061536935,
6.96218986468186,
5.9421884474999995
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[
2.061536935,
2.249858408980726,
7.386219627880158
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[
2.061536935,
5.092446161019274,
0.5366983021198414
],
[
2.061536935,
5.092446161019274,
3.424760662880159
]
] |
[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Sr",
"Sr",
"Ir",
"Ir",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga"
] |
2023-11-16 06:57:59
|
[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] |
[
[
-0.36857495,
0,
0
],
[
0,
-1.0613049,
0
],
[
0,
0,
2.550264
]
] | -51.146349
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
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0
],
[
0,
0.01184467,
0
],
[
0,
-0.0417991,
0
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[
0,
0.0417991,
0
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[
0,
0,
0
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[
0,
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[
0,
0.0390761,
0
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[
0,
0,
0
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[
0,
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0
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[
0,
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0.0250582
],
[
0,
0.02783586,
-0.0250582
],
[
0,
0.02783586,
0.0250582
]
] | 0
| 3.082114
|
pbe
| true
|
1428d2f62b9a89b90d7cd19bdab14372_51_Sr2Ga8Ir2
|
[
"K",
"Li",
"Se",
"Zn"
] | 5
|
A2BCD
|
KLiSe2Zn
|
K1 Li1 Zn1 Se2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.14519643,
0,
0
],
[
0,
4.14519643,
0
],
[
-2.07259822,
-2.07259822,
6.97630867
]
] |
agm002158023
|
[
[
-2.4999999848063226e-9,
2.0725982125,
3.488154335
],
[
0,
0,
0
],
[
1.7172636514463457e-8,
1.7172636514463457e-8,
4.95784735264653
],
[
2.072598192827364,
2.072598192827364,
2.018461317353469
],
[
2.0725982125,
-2.4999999848063226e-9,
3.488154335
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Zn",
"K",
"Se",
"Se",
"Li"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
1.080567,
0,
0
],
[
0,
1.080567,
0
],
[
0,
0,
1.2836893
]
] | -16.625271
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00069469
],
[
0,
0,
0.00069469
],
[
0,
0,
0
]
] | 0
| 0
|
pbe
| true
|
678ec9ab67e0c6266b2d83175be20ace_119_K1Li1Zn1Se2
|
[
"K",
"Li",
"Se",
"Zr"
] | 12
|
A3BCD
|
KLiSe3Zr
|
K1 Li1 Se3 Zr1
| 4
|
[
1,
1,
1
] | 3
|
[
[
1.980773517,
-7.310688053,
0
],
[
1.980773517,
7.310688053,
0
],
[
0,
0,
10.421298134
]
] |
oqmd-7408135
|
[
[
1.9807699999999997,
3.7742999999999993,
2.60532
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[
1.9807699999999997,
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7.81597
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[
1.9807699999999997,
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2.60532
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[
1.9807699999999997,
6.758909999999998,
7.81597
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[
1.9807699999999997,
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0.49606
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[
1.9807699999999997,
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2.60532
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[
1.9807699999999997,
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4.71459
],
[
1.9807699999999997,
5.496339999999999,
5.70671
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[
1.9807699999999997,
0.8896099999999988,
7.81597
],
[
1.9807699999999997,
5.496339999999999,
9.92523
],
[
1.9807699999999997,
-7.447738076134581e-16,
0
],
[
1.9807699999999997,
-7.447738076134581e-16,
5.21065
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"K",
"K",
"Li",
"Li",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Zr",
"Zr"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] |
[
[
5.78260401,
0,
0
],
[
0,
4.37948929,
0
],
[
0,
0,
6.41382921
]
] | -60.0999
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
-0.01227,
0
],
[
0,
0.01227,
0
],
[
0,
-0.006763,
0
],
[
0,
0.006763,
0
],
[
0,
0.008041,
-0.012284
],
[
0,
0.012131,
0
],
[
0,
0.008041,
0.012284
],
[
0,
-0.008041,
-0.012284
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[
0,
-0.012131,
0
],
[
0,
-0.008041,
0.012284
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.003359
| null |
pbe
| true
|
6e11f8f928b32ed2c8ce50c4fca80e47_63_K2Li2Zr2Se6
|
[
"Ga",
"K",
"Pd"
] | 4
|
A2BC
|
GaK2Pd
|
K2 Ga1 Pd1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.94255543,
3.94255543
],
[
3.94255543,
0,
3.94255543
],
[
3.94255543,
3.94255543,
0
]
] |
agm002687168
|
[
[
1.971277715,
1.971277715,
1.971277715
],
[
5.913833145,
5.913833145,
5.913833145
],
[
0,
0,
0
],
[
3.94255543,
3.94255543,
3.94255543
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"K",
"K",
"Ga",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
2.7252297,
0,
0
],
[
0,
2.7252297,
0
],
[
0,
0,
2.7252297
]
] | -9.315106
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 2.462802
|
pbe
| true
|
7e5821fea95fe6d295a0dd4d2ddb9f9c_225_K2Ga1Pd1
|
[
"K",
"Li",
"Te",
"Th"
] | 12
|
A3BCD
|
KLiTe3Th
|
K1 Li1 Te3 Th1
| 4
|
[
1,
1,
1
] | 3
|
[
[
2.29104073,
-7.642140784,
0
],
[
2.29104073,
7.642140784,
0
],
[
0,
0,
11.902923774
]
] |
oqmd-8992825
|
[
[
2.29104,
3.8699400000000006,
2.97573
],
[
2.29104,
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8.92719
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[
2.2910399999999997,
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2.97573
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[
2.2910399999999997,
7.14015,
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[
2.29104,
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0.68751
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[
2.29104,
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2.97573
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[
2.29104,
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5.26395
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[
2.29104,
5.599030000000001,
6.63897
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[
2.29104,
1.0498099999999997,
8.92719
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[
2.29104,
5.599030000000001,
11.21541
],
[
2.29104,
-5.4513190662942616e-17,
0
],
[
2.29104,
-5.4513190662942616e-17,
5.95146
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]
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[
"K",
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"Li",
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"Te",
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"Te",
"Te",
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2024-11-01 00:00:00
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[
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0.16666666666666666
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pbe
| true
|
b7f487dd933b67c93d0619671313ca56_63_K2Li2Th2Te6
|
[
"Ga",
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|
A2BC
|
Ga2LiPm
|
Li1 Pm1 Ga2
| 3
|
[
1,
1,
1
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[
[
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agm002342331
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|
[
"Li",
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"Ga",
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2023-11-16 06:57:59
|
[
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pbe
| true
|
4c57a2871d64d30f13d481f1d1a0dad7_225_Li1Pm1Ga2
|
[
"Ga",
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|
A2BC
|
Ga2MnTl
|
Mn1 Tl1 Ga2
| 3
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[
1,
1,
1
] | 3
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[
[
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agm002701543
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|
[
"Tl",
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2023-11-16 06:57:59
|
[
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0.25
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[
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[
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| 4.071076
|
pbe
| true
|
7f6af5e40b5e87ede4bd1060a1ecd7da_225_Mn1Tl1Ga2
|
[
"Nd",
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|
ABCD
|
NdPmPrTl
|
Pm1 Pr1 Nd1 Tl1
| 4
|
[
1,
1,
1
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|
[
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agm005189115
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|
[
"Pm",
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2023-11-16 06:57:59
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[
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[
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pbe
| true
|
239ae7fcd581510440a51f23329bac48_47_Pm1Pr1Nd1Tl1
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[
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A2BC
|
BaV2Y
|
Ba2 Y2 V4
| 3
|
[
1,
1,
1
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[
[
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agm002900717
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
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2023-11-16 06:57:59
|
[
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0.25
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[
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[
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2.719,
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| 13.000475
|
pbe
| true
|
66928020c442b4931ac6cec1f380c6be_122_Ba2Y2V4
|
[
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A3BCD
|
KLuTe3Zn
|
K1 Lu1 Te3 Zn1
| 4
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[
1,
1,
1
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[
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oqmd-4727142
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[
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[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
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2024-11-01 00:00:00
|
[
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[
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pbe
| true
|
cd12a69826a0de7b3fa796bc1cd28b4b_62_K4Lu4Zn4Te12
|
[
"Ba",
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|
ABC
|
BaWZr
|
Ba1 Zr1 W1
| 3
|
[
1,
1,
1
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|
[
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agm004057786
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[
"Ba",
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2023-11-16 06:57:59
|
[
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[
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pbe
| true
|
bdaedce9c1c5ff225234257887554c9c_42_Ba1Zr1W1
|
[
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A12B4C3D
|
KMg3N4O12
|
K1 Mg3 N4 O12
| 4
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[
1,
1,
1
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[
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agm004708259
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846c1ce048143a84a2c294ea2c57b0b5_190_K4Mg10Si24O60
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A4B2CD
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NdPmSc2Se4
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Pm1 Nd1 Sc2 Se4
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2023-11-16 06:57:59
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A4B2C2D
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Nd2Pm4Sm2Tm
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2023-11-16 06:57:59
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A2B2CD
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NdTb2Tl2Tm
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Tb4 Nd2 Tm2 Tl4
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2023-11-16 06:57:59
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A6B2C2D
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K2MgP2Se6
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K4 Mg2 P4 Se12
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2023-11-16 06:57:59
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c7acf054168fa998e0e58cb9c1669605_12_K4Mg2P4Se12
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A3BCD
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KMgS3Sm
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K1 Mg1 S3 Sm1
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2024-11-01 00:00:00
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2023-11-16 06:57:59
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K1 Li3 Mn4 Cl12
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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A6B2CD
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CoH6NaRb2
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Rb2 Na1 Co1 H6
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2023-11-16 06:57:59
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A2BC
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CdCu2Rh
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Cd1 Cu2 Rh1
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2023-11-16 06:57:59
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84f3ba1134e79533603144465786e091_6_Cd1Cu2Rh1
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A4BCD
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CoLiO4P
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Li4 Co4 P4 O16
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2023-11-16 06:57:59
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A12B4C3D
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KMn3O12Se4
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K1 Mn3 Se4 O12
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2023-11-16 06:57:59
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pbe
| true
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6d661acf7e88838b68f40a15e9f456ca_155_K1Mn3Se4O12
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[
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A8B3CD
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KMnO8Sn3
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K4 Mn4 O32 Sn12
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1
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mp-1298569
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2020-04-30 00:02:20
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pbe
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9daa578bff71fd7052a87e8268c8cb02_1_K4Mn4Sn12O32
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A12B4C2D
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K2MnO12V4
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K4 Mn2 V8 O24
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2023-11-16 06:57:59
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| 0
|
pbe
| true
|
e0b7cb6259603bc93c9309b9a33bad52_14_K4Mn2V8O24
|
[
"Co",
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] | 56
|
A4BCD
|
CoLiO4P
|
Li8 Co8 P8 O32
| 4
|
[
1,
1,
1
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agm005226318
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|
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2023-11-16 06:57:59
|
[
0.14285714285714285,
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| 0
|
pbe
| true
|
e7f553d468c6f7140e879dfa3a3b5813_29_Li8Co8P8O32
|
[
"Cs",
"Cu",
"I",
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] | 10
|
A6B2CD
|
Cs2CuI6Np
|
Cs2 Np1 Cu1 I6
| 4
|
[
1,
1,
1
] | 3
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[
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agm004930060
|
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[
1.6487486037900951,
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|
[
"Cs",
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2023-11-16 06:57:59
|
[
0.2,
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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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| 5.585269
|
pbe
| true
|
d722b381acb41fe93207f1ddf427b556_164_Cs2Np1Cu1I6
|
[
"Cs",
"K",
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] | 5
|
A2BCD
|
CsK2NaRb
|
Cs1 K2 Rb1 Na1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.57687754,
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0
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[
0,
7.76089481,
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agm004998918
|
[
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[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
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"Na"
] |
2023-11-16 06:57:59
|
[
0.2,
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0.2
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[
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pbe
| true
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af4e69900036cd08d39c2f013aeade74_44_Cs1K2Rb1Na1
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[
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A2BC
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LiRuTl2
|
Li1 Tl2 Ru1
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1,
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1
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agm004371843
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[
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2023-11-16 06:57:59
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pbe
| true
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f623edf256aecde6db331e2b994ff1ae_99_Li1Tl2Ru1
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[
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A10B3C2D
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CuGa2O10Se3
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Ga8 Cu4 Se12 O40
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2023-11-16 06:57:59
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|
pbe
| true
|
2a76fbf53c0e8095ce427cc852c32441_53_Ga8Cu4Se12O40
|
[
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|
A2BC
|
CdCuRh2
|
Cd1 Cu1 Rh2
| 3
|
[
1,
1,
1
] | 3
|
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agm003868046
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|
[
"Cd",
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2023-11-16 06:57:59
|
[
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0.5
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[
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| 4.723573
|
pbe
| true
|
42996a1230cc51cbdc19e2f540fe683b_12_Cd1Cu1Rh2
|
[
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"Ge",
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|
A2BC
|
GdGePb2
|
Gd1 Ge1 Pb2
| 3
|
[
1,
1,
1
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[
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4.90034498,
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agm001207842
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|
[
"Pb",
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2023-11-16 06:57:59
|
[
0.25,
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0.5
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0,
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[
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]
] | -27.329436
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[
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6.905
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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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| 2.489883
|
pbe
| true
|
40ddc79b333487379768e1a6db9b7036_123_Gd1Ge1Pb2
|
[
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|
A6B2CD
|
Eu2NdO6W
|
Nd1 Eu2 W1 O6
| 4
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[
1,
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1
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[
[
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agm002299349
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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Ni4Pr2Si4Sm
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2024-11-01 00:00:00
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2014-02-14 20:52:51
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c14916e76d48f5dea6230884eca240b1_224_K6Mo24P2O80
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A3BC
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BeBi3Rb
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Rb1 Be1 Bi3
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[
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2023-11-16 06:57:59
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| true
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c8c807acd244f74fe2ded827d6c605d8_221_Rb1Be1Bi3
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A2BC
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LiSe2Sr
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Sr1 Li1 Se2
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agm002693728
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2023-11-16 06:57:59
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| true
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a4e97957e8ecaa5b1f259998e4ee0f6b_225_Sr1Li1Se2
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ABC
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LiSeTa
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Li1 Ta1 Se1
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[
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2023-11-16 06:57:59
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[
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pbe
| true
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7890e5b20e5dc02da61659775edac0c8_107_Li1Ta1Se1
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[
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A3BC
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LiSe3Ta
|
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agm005795595
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|
[
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2023-11-16 06:57:59
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pbe
| true
|
78b30dab71a62bc9646d74ce58df1ed5_12_Li2Ta2Se6
|
[
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|
A2BC
|
Be2BrCu
|
Be2 Cu1 Br1
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[
1,
1,
1
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[
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agm004231911
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|
[
"Be",
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2023-11-16 06:57:59
|
[
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[
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[
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| 0.958035
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pbe
| true
|
6d3500e4e4ee54eaeaa336a4fc1f874c_12_Be2Cu1Br1
|
[
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|
A8B2CD
|
KMo2O8Tm
|
K2 Tm2 Mo4 O16
| 4
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[
1,
1,
1
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[
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agm003231572
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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"Ni",
"O",
"O",
"O",
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
0.2222222222222222,
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0.4444444444444444
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[
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[
0,
0.4529699,
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],
[
0,
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]
] | -155.247133
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1.717,
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1.045,
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1.045,
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[
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0.00156049,
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0.00076468,
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[
0.00076468,
0.00053911,
-0.00350091
],
[
-0.00076468,
0.00053911,
-0.00350091
]
] | 11.999998
| 1.365637
|
pbe
| true
|
f6ff77c57bc2758fb8fbae1f7978859f_14_K4Na8Ni8O16
|
[
"Ir",
"La",
"Li",
"Pb"
] | 10
|
A2BCD
|
IrLa2LiPb
|
Li2 La4 Ir2 Pb2
| 4
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
0,
8.28315476,
0.33897272
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[
0,
-3.14004877,
7.76399843
]
] |
agm005002597
|
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5.222646660137263
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3.1514112975,
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5.430371112482508
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[
3.1514112975,
5.951775689174624,
0.3596656818653071
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[
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2.6726000375174928
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[
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[
1.0504704325,
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2.734679344657082
],
[
3.1514112975,
0.5815051420335988,
5.368291805342918
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Li",
"Li",
"La",
"La",
"La",
"La",
"Ir",
"Ir",
"Pb",
"Pb"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
1.9517816,
0,
0
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[
0,
2.0627358,
-0.03757394
],
[
0,
-0.03757394,
1.9906981
]
] | -54.512605
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
[
0,
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[
0,
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0.00232819
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[
0,
0.0003806,
0.0066344
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[
0,
0.00416764,
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[
0,
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[
0,
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0.00746292
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[
0,
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[
0,
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0.0003303
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[
0,
-0.00137388,
-0.00025914
],
[
0,
0.00137388,
0.00025914
]
] | 0.000002
| 6.437872
|
pbe
| true
|
aedbfad173b28994f125fd1f99f57691_11_Li2La4Ir2Pb2
|
[
"Li",
"Si",
"Te"
] | 4
|
A2BC
|
Li2SiTe
|
Li2 Si1 Te1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.31974532,
0,
0
],
[
0,
4.31974532,
0
],
[
0,
0,
4.07096959
]
] |
agm003192705
|
[
[
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0,
2.035484795
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[
0,
2.15987266,
2.035484795
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[
0,
0,
0
],
[
2.15987266,
2.15987266,
0
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Si",
"Te",
"Li",
"Li"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
-4.6449113,
0,
0
],
[
0,
-4.6449113,
0
],
[
0,
0,
8.595878
]
] | -13.44497
|
[
0,
0,
0,
0
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[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 1.795057
|
pbe
| true
|
1a76421ce00b5fcfae6d32cc10cc9f77_123_Li2Si1Te1
|
[
"Li",
"Sm",
"Tl"
] | 3
|
ABC
|
LiSmTl
|
Li1 Sm1 Tl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.50133341,
0,
0
],
[
0,
4.99183179,
0
],
[
0,
-2.49591589,
4.32305314
]
] |
agm001269939
|
[
[
0.5816381097757923,
0,
0
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[
2.334319622073243,
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2.8820354410768436
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[
0.5853756781509649,
2.4959159216258255,
1.441017698923156
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"Tl",
"Sm",
"Li"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
2.2731931,
0,
0
],
[
0,
2.1779163,
0
],
[
0,
0,
2.1779163
]
] | -9.846189
|
[
0,
0.016,
0
] |
[
[
0.00202335,
0,
0
],
[
-0.00147052,
0,
0
],
[
-0.00055283,
0,
0
]
] | 0.030702
| 1.994087
|
pbe
| true
|
9fc9a9985a1c4c34c0d5bb2a18e855fd_187_Li1Sm1Tl1
|
[
"K",
"Na",
"O",
"Se"
] | 14
|
A8B3C2D
|
K3NaO8Se2
|
K3 Na1 O8 Se2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.98156373,
0,
0
],
[
-2.99078187,
5.18018615,
0
],
[
0,
0,
7.66845555
]
] |
mp-8696
|
[
[
1.6297724731795924,
0.9409495776250154,
6.164193901917901
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[
4.351791255003969,
0.9409495776250154,
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2.9907818618164397,
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0,
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[
0,
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[
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[
-3.3241152053165024e-8,
3.4534574506006206,
6.360623307945039
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[
2.9907818932411527,
1.7267286993993793,
5.562875947561537
],
[
-3.3241152053165024e-8,
3.4534574506006206,
2.1055796024384623
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Na",
"K",
"K",
"K",
"Se",
"Se"
] |
2011-05-30 11:31:58
|
[
0.21428571428571427,
0.07142857142857142,
0.5714285714285714,
0.14285714285714285
] |
[
[
0.140156,
0,
0
],
[
0,
0.140156,
0
],
[
0,
0,
0.03717769
]
] | -70.793528
|
[] |
[
[
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[
0.00170395,
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[
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0.00196755,
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[
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0.00275468
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[
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0.00275468
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[
0,
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0.00275468
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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,
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[
0,
0,
0.00565926
],
[
0,
0,
-0.00466448
],
[
0,
0,
0.00466448
]
] | null | -0.568737
|
pbe
| true
|
1b57c0ffa9bfa4299fb9e277b5646877_164_K3Na1Se2O8
|
[
"Li",
"Ta",
"Zr"
] | 4
|
A2BC
|
LiTaZr2
|
Li1 Zr2 Ta1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.91662684,
0,
0
],
[
0,
2.91662684,
0
],
[
0,
0,
9.50740476
]
] |
agm003882915
|
[
[
0,
0,
4.861698321705507
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[
1.45831342,
1.45831342,
7.055642160896675
],
[
0,
0,
9.37028459514509
],
[
1.45831342,
1.45831342,
2.480886822252728
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
|
[
"Li",
"Ta",
"Zr",
"Zr"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
2.1532161,
0,
0
],
[
0,
2.1532161,
0
],
[
0,
0,
2.587061
]
] | -29.704552
|
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00335269
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[
0,
0,
-0.00744612
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[
0,
0,
-0.00388368
],
[
0,
0,
0.01468249
]
] | 0.000026
| 4.891622
|
pbe
| true
|
45df98aac331d8cb526f18e46f6a5d56_99_Li1Zr2Ta1
|
[
"Gd",
"Hg",
"Rh"
] | 4
|
A2BC
|
GdHgRh2
|
Gd1 Hg1 Rh2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.78904287,
0,
0
],
[
0,
4.41303007,
0
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[
0,
0,
4.41303007
]
] |
agm001220925
|
[
[
1.894521435,
2.206515035,
2.206515035
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[
0,
0,
2.206515035
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[
0,
2.206515035,
0
],
[
1.894521435,
0,
0
]
] |
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Gd",
"Rh",
"Rh",
"Hg"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
8.7818,
0,
0
],
[
0,
9.0833645,
0
],
[
0,
0,
9.0833645
]
] | -31.153408
|
[
6.961,
-0.002,
-0.002,
0.001
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.043825
| 2.887597
|
pbe
| true
|
36f56ca8d69d685e207aae5edf694976_123_Gd1Hg1Rh2
|
[
"N",
"Pu",
"Sm",
"Sr"
] | 12
|
A3BCD
|
N3PuSmSr
|
Sr2 Sm2 Pu2 N6
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.65353758,
0,
0
],
[
0,
7.69289333,
0.71406846
],
[
0,
-2.28287412,
8.30816511
]
] |
agm005040729
|
[
[
2.740153185,
4.398937088408764,
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[
0.913384395,
1.0110821215912373,
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2.5316260445745473,
7.752185918829863
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[
0.913384395,
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6.914427903332407
]
] |
[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Sr",
"Sr",
"Sm",
"Sm",
"Pu",
"Pu",
"N",
"N",
"N",
"N",
"N",
"N"
] |
2023-11-16 06:57:59
|
[
0.5,
0.16666666666666666,
0.16666666666666666,
0.16666666666666666
] |
[
[
0.39628008,
0,
0
],
[
0,
0.20696273,
0.02559013
],
[
0,
0.02559021,
0.4007017
]
] | -100.835018
|
[
0,
0,
0,
0,
0.021,
0.021,
-0.001,
0,
0,
-0.001,
0,
0
] |
[
[
0,
-0.00078875,
0.00195259
],
[
0,
0.00078875,
-0.00195259
],
[
0,
0.0030967,
0.00006522
],
[
0,
-0.0030967,
-0.00006522
],
[
0,
-0.00002827,
0.00574828
],
[
0,
0.00002827,
-0.00574828
],
[
0,
-0.00065344,
-0.0044038
],
[
0,
0.00276671,
0.00219704
],
[
0,
0.00019301,
-0.00308684
],
[
0,
0.00065344,
0.0044038
],
[
0,
-0.00019301,
0.00308684
],
[
0,
-0.00276671,
-0.00219704
]
] | 0.039906
| 6.013274
|
pbe
| true
|
a52183947da400f7b63cab43d429f9cc_11_Sr2Sm2Pu2N6
|
[
"Li",
"Te",
"Zn"
] | 4
|
A2BC
|
LiTeZn2
|
Li1 Zn2 Te1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.05418938,
0,
0
],
[
0,
4.29451807,
0
],
[
0,
0,
6.39646499
]
] |
agm004333906
|
[
[
0,
0,
3.396245495003384
],
[
1.52709469,
2.147259035,
4.31241347824848
],
[
0,
0,
0.6811869976199072
],
[
1.52709469,
2.147259035,
1.2048514501635792
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Li",
"Te",
"Zn",
"Zn"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
1.9957836,
0,
0
],
[
0,
1.8473282,
0
],
[
0,
0,
1.5846747
]
] | -8.339178
|
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00042771
],
[
0,
0,
0.00190442
],
[
0,
0,
-0.00288801
],
[
0,
0,
0.0014113
]
] | 0
| 0.865946
|
pbe
| true
|
597e8c988c5bb3ebbf8c42ee5efd85ff_25_Li1Zn2Te1
|
[
"Lu",
"Mg",
"Tl"
] | 4
|
A2BC
|
Lu2MgTl
|
Lu2 Mg1 Tl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.735849,
3.735849
],
[
3.735849,
0,
3.735849
],
[
3.735849,
3.735849,
0
]
] |
oqmd-3351260
|
[
[
0,
0,
0
],
[
5.603769999999996,
5.603769999999996,
5.603769999999996
],
[
1.867929999999998,
1.867929999999998,
1.867929999999998
],
[
3.7358500000000014,
3.7358500000000014,
3.7358500000000014
]
] |
[{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
|
[
"Lu",
"Lu",
"Mg",
"Tl"
] |
2024-11-01 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
9.50092,
0,
0
],
[
0,
9.50092,
0
],
[
0,
0,
9.50092
]
] | -12.6544
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.005691
| null |
pbe
| true
|
9f8a5761c8bce05d7870e75e30125095_216_Lu2Mg1Tl1
|
[
"Lu",
"Na",
"Nb"
] | 3
|
ABC
|
LuNaNb
|
Lu1 Na1 Nb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.610805677,
3.610805677
],
[
3.610805677,
0,
3.610805677
],
[
3.610805677,
3.610805677,
0
]
] |
oqmd-7375531
|
[
[
1.8054,
1.8054,
1.8054
],
[
5.4162099999999995,
5.4162099999999995,
5.4162099999999995
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
|
[
"Lu",
"Na",
"Nb"
] |
2024-11-01 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
5.8299854,
0,
0
],
[
0,
5.8299854,
0
],
[
0,
0,
5.8299854
]
] | -11.746
|
[
0.654,
0.008,
2.683
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.35809
| null |
pbe
| true
|
efdb657e7baf750f792021bd26e3748f_216_Na1Lu1Nb1
|