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[
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"Ca",
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|
A3BC
|
B3CaRe
|
Ca1 Re1 B3
| 3
|
[
1,
1,
1
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|
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agm005862903
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|
[
"Ca",
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2023-11-16 06:57:59
|
[
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0.00126888,
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pbe
| true
|
48a0acfbbbb6c5488c10c0e4973477ab_160_Ca1Re1B3
|
[
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|
A2BC
|
B2CaV
|
Ca1 V1 B2
| 3
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[
1,
1,
1
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[
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agm002642306
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|
[
"Ca",
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"B",
"V"
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2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
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0,
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| 3.181549
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pbe
| true
|
3d367fb8ad7c0ad2b55ff2e25d747a83_225_Ca1V1B2
|
[
"B",
"Cd",
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] | 20
|
A3BC
|
BCdRh3
|
Cd4 B4 Rh12
| 3
|
[
1,
1,
1
] | 3
|
[
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0,
5.46429289,
5.46429289
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agm003039507
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6.8303661125,
4.0982196675,
4.0982196675
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[
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4.0982196675,
6.8303661125
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] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
|
[
"B",
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"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Cd",
"Cd",
"Cd",
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] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
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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,
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0
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] | -0.000381
| 25.774162
|
pbe
| true
|
bbc6a3bd9c92b24efed97217f8c6cbf6_227_Cd4B4Rh12
|
[
"B",
"Ce",
"Ni"
] | 5
|
A2B2C
|
B2CeNi2
|
Ce1 Ni2 B2
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.97043566,
0,
-1.28031078
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[
-0.35262944,
3.83610327,
-0.81813035
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[
0.51991483,
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5.29224076
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agm005882315
|
[
[
0,
0,
0
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1.720082236924979
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[
2.396333287104694,
0.3708658673030108,
1.473717393075021
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] |
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
|
[
"Ce",
"Ni",
"Ni",
"B",
"B"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.4
] |
[
[
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-0.02763394
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[
-0.00548424,
-4.8397145,
-0.01272542
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[
-0.02763394,
-0.01272614,
-4.62778
]
] | -32.644836
|
[
0,
0,
0,
0,
0
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[
[
0,
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0
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[
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0.00002071,
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0.00004805
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0.00378363,
-0.00131155
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[
0.0005653,
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0.00131155
]
] | -0.000062
| 6.067884
|
pbe
| true
|
83b345fb602ad63f6c7f61e2e007e992_12_Ce1Ni2B2
|
[
"B",
"Cl",
"Sb"
] | 11
|
A8B2C
|
B2Cl8Sb
|
B2 Sb1 Cl8
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.17939045,
0.19887329,
0.1508969
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[
0.29845951,
7.22598221,
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[
0.29845951,
1.6629461,
7.03815536
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agm003524945
|
[
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5.424921096591951
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[
2.2639625452790466,
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5.928762765022341,
4.498501961790529
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[
1.3152085020579276,
3.159038834977659,
2.3969490682094707
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] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
|
[
"B",
"B",
"Sb",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.18181818181818182,
0.7272727272727273,
0.09090909090909091
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[
[
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0.00163982
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[
0.00216111,
0.01397772,
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[
0.00163976,
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0.01995052
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|
[
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0.002,
0.376,
0.011,
0.011,
0.007,
0.007,
0.011,
0.011,
0.003,
0.003
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[
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0.0023795
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[
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[
-0.0010567,
0.00447275,
0.00339374
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[
0.0010567,
-0.00447275,
-0.00339374
]
] | 1
| -0.028524
|
pbe
| true
|
8ec8c1ea780a0d83872e58bb0740c11c_12_B2Sb1Cl8
|
[
"B",
"Cl",
"Pd"
] | 5
|
A3BC
|
B3ClPd
|
B3 Pd1 Cl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.84191458,
0,
0
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[
0,
3.84191458,
0
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[
0,
0,
3.84191458
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] |
agm002408143
|
[
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0
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[
1.92095729,
0,
0
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[
1.92095729,
1.92095729,
1.92095729
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[
0,
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0
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] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"B",
"B",
"B",
"Pd",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.6,
0.2,
0.2
] |
[
[
2.8784258,
0,
0
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[
0,
2.8784258,
0
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[
0,
0,
2.8784258
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] | -16.300323
|
[
0,
0.002,
-0.002,
0,
0
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[
[
0,
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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
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[
0,
0,
0
]
] | 0
| 1.600542
|
pbe
| true
|
f3ce2677fcbfbba873ddd5bb9337e1a7_221_B3Pd1Cl1
|
[
"B",
"Co",
"Sm"
] | 7
|
A3B2C2
|
B3Co2Sm2
|
Sm2 Co2 B3
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.8387675,
0,
0
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[
-1.91938375,
4.85999801,
0.00715742
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[
0,
-2.58358601,
5.4244195
]
] |
agm003312691
|
[
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1.9193837308061628,
3.2690267722454416,
1.1116648195224181
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[
1.919383750113228e-8,
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4.319912100477582
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1.91938183061625,
1.176548989720255,
3.4564698030333
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0.000001919383750083554,
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[
1.91938375,
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[
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1.5754578394313887
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[
-0.000001919383749774071,
1.7812501782123102,
3.8561190805686114
]
] |
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"Sm",
"Sm",
"Co",
"Co",
"B",
"B",
"B"
] |
2023-11-16 06:57:59
|
[
0.42857142857142855,
0.2857142857142857,
0.2857142857142857
] |
[
[
1.310104,
0,
0
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[
0,
1.4011012,
-0.20812596
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[
0,
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1.1638403
]
] | -45.208732
|
[
0,
0,
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0,
0,
0,
0
] |
[
[
0,
0.00134447,
0.00155836
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[
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[
0,
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[
0,
0.00426587,
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[
0,
0,
0
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[
0,
-0.0008943,
-0.00251649
],
[
0,
0.0008943,
0.00251649
]
] | 0.000027
| 4.84776
|
pbe
| true
|
d20613bf01327b345cd0ad54e3215338_12_Sm2Co2B3
|
[
"B",
"Co",
"S"
] | 8
|
A2BC
|
BCo2S
|
Co4 B2 S2
| 3
|
[
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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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2023-11-16 06:57:59
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2023-11-16 06:57:59
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B12CsO12
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2024-11-01 00:00:00
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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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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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2023-11-16 06:57:59
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db83b2be9ae67a83c196fa9de4f4e2fa_14_K6B2H12
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BH4K
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K4 B4 H16
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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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A4BC
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B4HfIr
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B4 Hf1 Ir1
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oqmd-7966460
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2024-11-01 00:00:00
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| true
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[
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ABC
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BHfK
|
K2 Hf2 B2
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[
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[
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agm003038072
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[
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2023-11-16 06:57:59
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| true
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[
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A5B2C
|
B2Hf5Pb
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Hf10 B4 Pb2
| 3
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[
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[
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agm005921052
|
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|
[
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] |
2023-11-16 06:57:59
|
[
0.25,
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[
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[
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pbe
| true
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9775e693a44856eb7559d5b6800494af_140_Hf10B4Pb2
|
[
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ABC
|
BHgLa
|
La2 Hg2 B2
| 3
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[
1,
1,
1
] | 3
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[
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agm003038325
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|
[
"B",
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"Hg",
"Hg",
"La",
"La"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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[
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[
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| 2.87841
|
pbe
| true
|
37cda0d88dcce6379151a5969f8426aa_12_La2Hg2B2
|
[
"B",
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|
A3B2C
|
BHo2Ir3
|
Ho2 B1 Ir3
| 3
|
[
1,
1,
1
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|
[
[
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0
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[
0,
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0
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[
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agm003431336
|
[
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[
0,
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[
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[{"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": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
|
[
"Ho",
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] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
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0.5
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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,
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| 2.886147
|
pbe
| true
|
f532dbb35c08e7a38ae2f22ac98b7643_71_Ho2B1Ir3
|
[
"B",
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|
A6B2C
|
BHo2Ir6
|
Ho2 B1 Ir6
| 3
|
[
1,
1,
1
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[
[
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0,
0
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[
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[
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agm002256046
|
[
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] |
[{"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": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
|
[
"B",
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"Ho"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
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0.6666666666666666
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[
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[
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[
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] | -75.166751
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[
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[
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[
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[
0,
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| 4.227823
|
pbe
| true
|
0bef72d07bd0e13a407faec5fe049079_225_Ho2B1Ir6
|
[
"B",
"In",
"Pt"
] | 4
|
A2BC
|
B2InPt
|
In1 B2 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
2.94576049,
2.94576049
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[
2.94576049,
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[
2.94576049,
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0
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agm002639113
|
[
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0,
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"B",
"B",
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"In"
] |
2023-11-16 06:57:59
|
[
0.5,
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0.25
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[
[
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[
0,
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[
0,
0,
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[
0,
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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
]
] | 0
| 1.771088
|
pbe
| true
|
d28431c2c652b570e26832fd2f5b63a1_225_In1B2Pt1
|
[
"B",
"Ir",
"La"
] | 11
|
A5B4C2
|
B4Ir5La2
|
La2 B4 Ir5
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.57900405,
0,
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[
2.78950202,
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[
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agm002137368
|
[
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5.579115445611521,
0,
1.6234638935480346
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[
2.789085994388479,
0,
4.078637946451965
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] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
|
[
"B",
"B",
"B",
"B",
"Ir",
"Ir",
"Ir",
"Ir",
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"La",
"La"
] |
2023-11-16 06:57:59
|
[
0.36363636363636365,
0.45454545454545453,
0.18181818181818182
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[
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[
0,
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0
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[
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0,
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] | -88.764311
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[
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[
[
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[
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0,
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[
0.00411277,
0,
0.01525346
]
] | 0
| 4.032338
|
pbe
| true
|
f7a35be8e7abf6d348aacc21705f960b_69_La2B4Ir5
|
[
"B",
"Ir",
"Mo"
] | 6
|
A4BC
|
B4IrMo
|
B4 Mo1 Ir1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.96377018,
0,
0
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[
-1.4818857,
2.56669991,
0
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[
0,
0,
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] |
agm003200408
|
[
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0,
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[
0,
0,
0
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[
-0.0000018885519600399768,
1.7111341288999702,
3.738068465
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
|
[
"B",
"B",
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"B",
"Mo",
"Ir"
] |
2023-11-16 06:57:59
|
[
0.6666666666666666,
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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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]
] | -47.863387
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[
0,
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0
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[
[
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[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000017
| 2.511295
|
pbe
| true
|
8a68ef06417be8e46b9b5d09754f7884_187_B4Mo1Ir1
|
[
"B",
"Ir",
"Si"
] | 8
|
A2BC
|
BIrSi2
|
Si4 B2 Ir2
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.01758223,
0,
0
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[
0,
5.01758223,
0
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[
2.50879112,
2.50879112,
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] |
agm002794030
|
[
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2023-11-16 06:57:59
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A3B2C
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BK3P2
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K6 B2 P4
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2023-11-16 06:57:59
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A6B5C2
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B2Li5O6
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Li10 B4 O12
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2023-11-16 06:57:59
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pbe
| true
|
11cabd8beafccaa16660c2a02efab543_55_Li10B4O12
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[
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A3BC
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BMg3Tl
|
Mg3 Tl1 B1
| 3
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2023-11-16 06:57:59
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pbe
| true
|
0de030062163c060059a0d44bc1d9d3d_221_Mg3Tl1B1
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[
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ABC
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BMnRe
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Mn2 Re2 B2
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agm003607331
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|
[
"Mn",
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2023-11-16 06:57:59
|
[
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pbe
| true
|
dd6c1788c605920e9a6e19e6168bde1a_12_Mn2Re2B2
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[
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A4B2C
|
B4Mn2U
|
U1 Mn2 B4
| 3
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[
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[
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agm005968453
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|
[
"B",
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2023-11-16 06:57:59
|
[
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[
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[
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pbe
| true
|
a989acfcc325674b4971cdebe489f9c1_71_U1Mn2B4
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[
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A4BC
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B4MnV
|
Mn1 V1 B4
| 3
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[
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1
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[
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agm001170925
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
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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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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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67fc6a822c61693648bcf47d6517a3c4_127_Ni2Sn4B4
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A2B2C
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BO2P2
|
B1 P2 O2
| 3
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[
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2023-11-16 06:57:59
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A7B2C
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B2Pd7Pm
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Pm1 B2 Pd7
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2023-11-16 06:57:59
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A2B2C
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B2PdRh2
|
B4 Pd2 Rh4
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agm002959114
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[
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2023-11-16 06:57:59
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[
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A2BC
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BRbTe2
|
Rb2 B2 Te4
| 3
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[
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agm002795934
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2023-11-16 06:57:59
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pbe
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[
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A2B2C
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B2ReTc2
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Re1 Tc2 B2
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agm002910880
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2023-11-16 06:57:59
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pbe
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829ab126fb1510e28b94d75a1f3d011a_139_Re1Tc2B2
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[
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A2BC
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B2ReTi
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Ti2 Re2 B4
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[
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agm002797599
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[
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2023-11-16 06:57:59
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pbe
| true
|
1c459af36002c14bad9c39bb175f4310_122_Ti2Re2B4
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[
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A5B4C2
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B4Rh5V2
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V2 B4 Rh5
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[
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agm002257060
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2023-11-16 06:57:59
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[
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pbe
| true
|
35589dd9afd095d8a374010026138bc8_8_V2B4Rh5
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[
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|
A6B2C
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BRu6Th2
|
Th2 B1 Ru6
| 3
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1
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[
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agm002255463
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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BScTh
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Th6 Sc6 B6
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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B6ThY2
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Y2 Th1 B6
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2023-11-16 06:57:59
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55da8ade444a3b50091eb423d98535a3_191_Y2Th1B6
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A4B3C
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Ba3 Na4 Ca1
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2023-11-16 06:57:59
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b779a0e5e7c5ca4fd233339e898d4a09_123_Ba3Na4Ca1
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[
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BaCd6Tl6
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Ba1 Tl6 Cd6
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2023-11-16 06:57:59
|
[
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d0e19f4d25c984db95c20a5b040fd425_71_Ba1Tl6Cd6
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[
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A3BC
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BaCsI3
|
Cs1 Ba1 I3
| 3
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1,
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1
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agm003082183
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[
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2023-11-16 06:57:59
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pbe
| true
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d45760787f17a95af2fbb24963e6ffee_38_Cs1Ba1I3
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[
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A4B4C
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BaCu4O4
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Ba2 Cu8 O8
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2023-11-16 06:57:59
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pbe
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edea260840b3f6b910413adb23af67ff_125_Ba2Cu8O8
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[
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A7B4C
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BaCu4O7
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Ba2 Cu8 O14
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agm005288090
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2023-11-16 06:57:59
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pbe
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154760b6e8e330de4d980478ae2faef8_186_Ba2Cu8O14
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A9B2C
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BaCu2Zn9
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Ba2 Zn18 Cu4
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2023-11-16 06:57:59
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aae4b2a222b368273872a504098fe3cc_141_Ba2Zn18Cu4
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[
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A3BC
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Ba3FGa
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Ba6 Ga2 F2
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3.5970581670008763
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[
1.0782485885837125,
2.3142629613138515,
2.5835922194215026
],
[
3.234706861416288,
4.391464388686149,
8.027463640578496
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[
1.0783011795477673,
6.737394937423247,
4.346287774669295
],
[
3.234654270452233,
-0.031667587423247205,
6.264768085330705
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ga",
"Ga",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.6,
0.2,
0.2
] |
[
[
0.25785643,
2.9e-7,
4.5e-7
],
[
2.9e-7,
0.2341517,
0.01626567
],
[
4.5e-7,
0.01626585,
0.257876
]
] | -33.386446
|
[
0.04,
0.04,
0.045,
0.034,
0.045,
0.034,
-0.008,
-0.008,
0.004,
0.004
] |
[
[
-1e-8,
-0.00045805,
-0.00391823
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[
1e-8,
0.00045805,
0.00391823
],
[
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[
0,
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0.00232663
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[
1e-8,
0.00094356,
0.00334196
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[
0,
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-0.00232663
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[
0,
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[
0,
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0.0029877
],
[
0,
0.00154223,
0.00062329
],
[
0,
-0.00154223,
-0.00062329
]
] | 0.958965
| 6.137535
|
pbe
| true
|
94f3dee0673985593e7faf9990c08179_11_Ba6Ga2F2
|
[
"Ba",
"F",
"Sr"
] | 12
|
A8B3C
|
BaF8Sr3
|
Ba1 Sr3 F8
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.9646643,
0,
0
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[
0,
5.9646643,
0
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[
0,
0,
5.9646643
]
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agm005952737
|
[
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0,
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[
2.98233215,
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2.98233215
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1.533144427997112
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[
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1.533144427997112,
1.533144427997112
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[
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4.431519872002888,
4.431519872002888
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[
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4.431519872002888,
1.533144427997112
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[
4.431519872002888,
1.533144427997112,
4.431519872002888
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[
1.533144427997112,
4.431519872002888,
4.431519872002888
],
[
1.533144427997112,
1.533144427997112,
1.533144427997112
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Ba",
"Sr",
"Sr",
"Sr",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.08333333333333333,
0.6666666666666666,
0.25
] |
[
[
1.5771518,
0,
0
],
[
0,
1.5771518,
0
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[
0,
0,
1.5771518
]
] | -69.001742
|
[
0,
0,
0,
0,
0,
0,
0,
0,
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0,
0,
0
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[
[
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[
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[
0,
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[
0,
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[
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0.00108159,
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0.00108159
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[
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[
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[
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0.00108159
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[
-0.00108159,
0.00108159,
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[
0.00108159,
-0.00108159,
-0.00108159
],
[
0.00108159,
0.00108159,
0.00108159
]
] | 0.000556
| 0
|
pbe
| true
|
c7dc2c20c6fa85e853598c178cc1678a_221_Ba1Sr3F8
|
[
"Ba",
"F",
"Ru"
] | 8
|
A2BC
|
BaF2Ru
|
Ba2 Ru2 F4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.63049319,
0,
0
],
[
0,
4.63049319,
0
],
[
2.31524659,
2.31524659,
7.55840284
]
] |
agm002825399
|
[
[
2.315246595,
2.315246595,
0
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[
2.3152465925000003,
4.630493187500001,
3.77920142
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0,
0,
0
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[
4.630493187500001,
2.3152465925000003,
3.77920142
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[
3.1272934987942502,
1.1576232962500002,
1.88960071
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[
1.5031996887057502,
3.4728698912500002,
1.88960071
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[
3.47286988875,
3.81844628120575,
5.66880213
],
[
5.78811648375,
5.44254009129425,
5.66880213
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
|
[
"Ru",
"Ru",
"Ba",
"Ba",
"F",
"F",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
0.46516824,
0,
0
],
[
0,
0.46516824,
0
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[
0,
0,
1.2676432
]
] | -40.547901
|
[
1.916,
1.918,
-0.037,
-0.037,
0.05,
0.05,
0.047,
0.047
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[
[
0,
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[
0,
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0
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[
0,
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0
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[
0,
0,
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0
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[
0.0026266,
0,
0
],
[
0,
0.0026266,
0
],
[
0,
-0.0026266,
0
]
] | 4.180337
| 3.122725
|
pbe
| true
|
235ef11a31886659c84fd68f85059798_122_Ba2Ru2F4
|
[
"Ba",
"Fe",
"W"
] | 4
|
A2BC
|
BaFeW2
|
Ba1 Fe1 W2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.17240383,
-0.03814306,
0.03051706
],
[
2.11742542,
3.59540237,
0.03051706
],
[
2.05264774,
1.16089007,
6.45726597
]
] |
agm004324188
|
[
[
6.2568577425,
3.538612035,
4.8887250675
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[
2.0856192475,
1.179537345,
1.6295750225
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[
6.282808067909654,
3.5532884295754275,
1.073781156963891
],
[
4.178259677090347,
2.363045570424572,
2.2464030080361086
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Ba",
"Fe",
"W",
"W"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
2.2861676,
0.1085763,
-0.0023298
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[
0.1085763,
2.1555927,
-0.00131763
],
[
-0.0023297,
-0.00131758,
1.747635
]
] | -33.063712
|
[
0.001,
0.574,
0.064,
0.064
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0.00138628,
0.00078402,
-0.00178921
],
[
-0.00138628,
-0.00078402,
0.00178921
]
] | 0.741116
| 4.859265
|
pbe
| true
|
322f643b8bebb6627e1b7a1a3fd1b464_166_Ba1Fe1W2
|
[
"Ba",
"Ge",
"Pd"
] | 8
|
A2BC
|
BaGe2Pd
|
Ba2 Ge4 Pd2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.23752923,
0.70670611,
0
],
[
-1.08084903,
6.41322563,
0
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[
0,
0,
7.05818307
]
] |
agm002214156
|
[
[
0.36113453178079713,
4.3326164452595615,
6.720478654469394
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[
2.7955456682192024,
2.7873152947404383,
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[
2.7955456682192024,
2.7873152947404383,
3.191387119469394
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[
0.36113453178079713,
4.3326164452595615,
3.8667959505306064
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[
0.9188601759931853,
0.9855988448797842,
5.2936373025000005
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[
2.2378200240068145,
6.134332895120217,
1.7645457675
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[
2.544375075921406,
4.297544500354274,
5.2936373025000005
],
[
0.6123051240785932,
2.822387239645727,
1.7645457675
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Ge",
"Ge",
"Ge",
"Ge",
"Ba",
"Ba",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
3.310394,
0.02411834,
0
],
[
0.02411838,
3.2900794,
0
],
[
0,
0,
3.0946608
]
] | -37.724597
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00013194,
-0.00409476,
0.00441337
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[
-0.00013194,
0.00409476,
-0.00441337
],
[
-0.00013194,
0.00409476,
0.00441337
],
[
0.00013194,
-0.00409476,
-0.00441337
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[
0.00068778,
0.0035871,
0
],
[
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0
],
[
0.00092584,
0.00070925,
0
],
[
-0.00092584,
-0.00070925,
0
]
] | 0.000001
| 2.578872
|
pbe
| true
|
eeaa1de9fd86ce92c7e5cd0162551be1_11_Ba2Ge4Pd2
|
[
"Ba",
"Ge",
"Sb"
] | 8
|
A2BC
|
BaGeSb2
|
Ba2 Ge2 Sb4
| 3
|
[
1,
1,
1
] | 3
|
[
[
8.1712361,
0,
0
],
[
0,
8.1712361,
0
],
[
4.08561805,
4.08561805,
4.2374741
]
] |
agm002834006
|
[
[
5.436768055998562,
2.042809025,
1.059368525
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[
2.7344680440014377,
6.128427075,
1.059368525
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[
6.128427074999999,
6.820086094001438,
3.178105575
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[
10.214045125,
9.522386105998562,
3.178105575
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[
4.08561805,
4.08561805,
0
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[
4.08561805,
8.1712361,
2.11873705
],
[
0,
0,
0
],
[
8.1712361,
4.08561805,
2.11873705
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
|
[
"Sb",
"Sb",
"Sb",
"Sb",
"Ge",
"Ge",
"Ba",
"Ba"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
0.10277722,
0,
0
],
[
0,
0.10277722,
0
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[
0,
0,
1.2967328
]
] | -32.796043
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
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0,
0
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[
0.0275895,
0,
0
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[
0,
0.0275895,
0
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[
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 1.563425
|
pbe
| true
|
e639a471d903a95c4e0710a4a9006f54_122_Ba2Ge2Sb4
|
[
"Ba",
"H",
"Te"
] | 10
|
A3BC
|
BaH3Te
|
Ba2 Te2 H6
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.80050079,
0,
-2.43446424
],
[
0,
5.91984175,
0
],
[
-0.51045507,
0,
9.14172065
]
] |
agm005871893
|
[
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3.478357376064956,
4.4398813125,
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[
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1.4799604375,
7.5576994861525915
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[
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4.4398813125,
5.174419833391557
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[
3.3022274068639823,
1.4799604375,
1.5328365766084424
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[
1.5209573813574575,
0.0281448812272775,
0.23617785215153345
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[
1.7690883386425427,
5.891696868772722,
6.471078557848466
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[
1.5209573813574575,
2.9317759937727224,
0.23617785215153345
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[
1.7690883386425427,
2.9880657562272774,
6.471078557848466
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[
2.3277094807930294,
4.4398813125,
1.792190372748291
],
[
0.9623400397077606,
1.4799604375,
4.915063602787468
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Ba",
"Ba",
"Te",
"Te",
"H",
"H",
"H",
"H",
"H",
"H"
] |
2023-11-16 06:57:59
|
[
0.2,
0.6,
0.2
] |
[
[
4.910749,
0,
-0.19881403
],
[
0,
5.6224055,
0
],
[
-0.19881403,
0,
5.47219
]
] | -31.533136
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
-0.00513704,
0,
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[
0.00513704,
0,
0.00228415
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[
-0.007746,
0,
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[
0.007746,
0,
0.0104094
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[
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[
0.0019393,
0.00025015,
0.00088026
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[
-0.0019393,
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[
0.0019393,
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0.00088026
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[
0.01293294,
0,
0.01292491
],
[
-0.01293294,
0,
-0.01292491
]
] | 0
| 3.93156
|
pbe
| true
|
876fcca4138fa5053128fb84154c49c7_11_Ba2Te2H6
|
[
"Ba",
"H",
"Tl"
] | 8
|
A5B2C
|
Ba5HTl2
|
Ba5 Tl2 H1
| 3
|
[
1,
1,
1
] | 3
|
[
[
10.32836998,
-0.00113884,
-0.00881971
],
[
0.00688104,
8.05730884,
-0.01324823
],
[
-5.16687701,
-4.03512034,
3.85875941
]
] |
agm003470417
|
[
[
8.422685255114532,
1.8609364146030365,
0.29722835429282607
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[
1.9116321794613873,
1.861250924029288,
0.2958877048083257
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[
8.419683687012498,
6.193913861579485,
0.2795394468979296
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[
1.9160679869346542,
6.196363506215705,
0.2934786375769129
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[
5.1674708658928035,
4.0224624667314846,
0.6717037086874568
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[
0.011293692471092347,
4.038039587908271,
2.5996966031085664
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[
5.158083659548057,
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1.8616847765132603
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[
5.1683935289393945,
4.018257259462721,
3.4506568460597884
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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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2023-11-16 06:57:59
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A5B2C
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Ba5MgTl2
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Ba10 Mg2 Tl4
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2023-11-16 06:57:59
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A3B2C
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2014-02-16 07:03:35
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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Ba1 Na1 Sn2
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0
],
[
0,
0,
7.74858631
]
] |
agm001811544
|
[
[
2.03066757,
2.03066757,
0
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[
2.03066757,
2.03066757,
3.874293155
],
[
0,
0,
6.211177987296888
],
[
0,
0,
1.5374083227031128
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]
|
[
"Na",
"Ba",
"Sn",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
1.9314052,
0,
0
],
[
0,
1.9314052,
0
],
[
0,
0,
2.32672
]
] | -12.64781
|
[
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,
-0.00547323
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[
0,
0,
0.00547323
]
] | -0.000002
| 2.172361
|
pbe
| true
|
e378f224b52ea163ed863e13026cf0b1_123_Ba1Na1Sn2
|
[
"Ba",
"Nb",
"Se"
] | 5
|
A3BC
|
BaNbSe3
|
Ba1 Nb1 Se3
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.90539654,
0,
0
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[
0,
5.90539654,
0
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[
0,
0,
5.90539654
]
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agm002595048
|
[
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2.95269827,
2.95269827
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0,
0,
0
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[
0,
2.95269827,
0
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[
0,
0,
2.95269827
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[
2.95269827,
0,
0
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Nb",
"Ba",
"Se",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
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[
[
0.6329322,
0,
0
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[
0,
0.6329322,
0
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[
0,
0,
0.6329322
]
] | -17.934113
|
[
2.87,
-0.073,
-0.58,
-0.672,
-0.364
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[
[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 1.000002
| 6.3068
|
pbe
| true
|
baa0f980e1f6db5ba698db4221eb7399_221_Ba1Nb1Se3
|
[
"Ba",
"O",
"Pa"
] | 18
|
A6B2C
|
BaO6Pa2
|
Ba1 O6 Pa2
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
5.592408101,
5.592408101
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[
5.592408101,
0,
5.592408101
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[
5.592408101,
5.592408101,
0
]
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oqmd-9602848
|
[
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5.59241
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[
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8.38861,
8.38861
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2.7962,
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2.7962
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5.12236
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2.3261499999999997,
5.59241,
5.59241
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5.59241
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5.12236,
2.7962
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2.7962,
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2.7962
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5.59241,
2.3261499999999997
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[
5.59241,
8.85866,
5.59241
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[
8.85866,
5.59241,
5.59241
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1.3981,
1.3981,
1.3981
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[
1.3981,
4.19431,
4.19431
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[
4.19431,
1.3981,
4.194310000000001
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[
4.194310000000001,
4.194310000000001,
1.3981
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"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"]}]
|
[
"Ba",
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Pa",
"Pa",
"Pa",
"Pa"
] |
2024-11-01 00:00:00
|
[
0.1111111111111111,
0.6666666666666666,
0.2222222222222222
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[
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31.59851888,
0,
0
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[
0,
31.59851888,
0
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[
0,
0,
31.59851888
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[
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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
]
] | -0.00341
| null |
pbe
| true
|
ffcecf511b9175e2ecb6cf9ee63ceed8_227_Ba2Pa4O12
|
[
"Ba",
"O",
"Sn"
] | 4
|
A2BC
|
BaOSn2
|
Ba1 Sn2 O1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.78092062,
3.78092062
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[
3.78092062,
0,
3.78092062
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[
3.78092062,
3.78092062,
0
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agm002720815
|
[
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[
0,
0,
0
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[
1.89046031,
1.89046031,
1.89046031
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[
5.67138093,
5.67138093,
5.67138093
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
|
[
"Ba",
"O",
"Sn",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
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[
[
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0,
0
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[
0,
-0.8395236,
0
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[
0,
0,
-0.8395236
]
] | -14.117737
|
[
-0.003,
0.009,
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-0.001
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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
]
] | 0.001532
| 5.811482
|
pbe
| true
|
bc522f1969f96a02d92c91145c8e2f62_225_Ba1Sn2O1
|
[
"Ba",
"Os",
"Te"
] | 4
|
A2BC
|
BaOs2Te
|
Ba1 Te1 Os2
| 3
|
[
1,
1,
1
] | 3
|
[
[
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0.01091371,
0.00324881
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[
2.61684979,
5.37459414,
-0.00324879
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[
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2.73796996
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agm003797494
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[
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2.0147376675000004,
1.36736059
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[
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1.1936141193165941,
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2.846774925683406,
1.057198319995114e-8
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[
3.4103304925000004,
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1.37060939
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] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Ba",
"Os",
"Os",
"Te"
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2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
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[
[
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0.17644635,
-0.13592707
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[
0.17644635,
4.917481,
0.21691613
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[
-0.13592707,
0.21691613,
5.1030235
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] | -22.91601
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[
0,
0,
0,
0
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[
[
0,
0,
0
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[
0.00268005,
0.00167935,
0
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[
-0.00268005,
-0.00167935,
0
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[
0,
0,
0
]
] | -0.000041
| 4.972192
|
pbe
| true
|
7460056b457532db58e208d699b86be3_71_Ba1Te1Os2
|
[
"Ba",
"Pa",
"S"
] | 4
|
A2BC
|
BaPaS2
|
Ba1 Pa1 S2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.55195919,
0,
0
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[
0,
3.55195919,
0
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[
0,
0,
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agm001132220
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[
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1.5858824663250382
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[
1.775979595,
1.775979595,
0
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[
1.775979595,
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3.706131935
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]
|
[
"S",
"S",
"Pa",
"Ba"
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2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
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[
[
0.39954954,
0,
0
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[
0,
0.39954954,
0
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[
0,
0,
0.2613722
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] | -25.301687
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[
-0.029,
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1.252,
0.047
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[
[
0,
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[
0,
0,
0.00526427
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.525337
| 5.091544
|
pbe
| true
|
40f1cf66b6d22ba614998cf2bb3ba860_123_Ba1Pa1S2
|
[
"Ba",
"Pb",
"Tl"
] | 6
|
A4BC
|
BaPbTl4
|
Ba1 Tl4 Pb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.59414088,
0,
0
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[
3.29707044,
5.71069352,
0
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[
3.29707044,
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5.38409349
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] |
agm003199403
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[
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1.3460233725
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0,
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0
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1.8893802120455485,
3.3700733374493903
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[
6.59414088,
3.8071290137406857,
0.6579669676518278
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[{"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": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Ba",
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"Tl",
"Tl",
"Tl",
"Tl"
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2023-11-16 06:57:59
|
[
0.16666666666666666,
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0.6666666666666666
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[
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3.4517453,
0,
0
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[
0,
3.4517453,
0
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[
0,
0,
3.4517453
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] | -15.861027
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[
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[
[
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[
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[
0,
0.00241613,
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[
0,
0,
0.00256269
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] | 0
| 5.132258
|
pbe
| true
|
f871e51c93b321eea4902e0a8bad9746_216_Ba1Tl4Pb1
|
[
"Ba",
"Pr",
"Te"
] | 22
|
A6B4C
|
BaPr4Te6
|
Ba2 Pr8 Te12
| 3
|
[
1,
1,
1
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|
[
[
4.57870985,
0,
0
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[
-2.28935542,
7.46175256,
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[
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23.50247486
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agm006082514
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2.2893577847396656,
2.4814497262835644,
17.626855822420602
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"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"]}]
|
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2023-11-16 06:57:59
|
[
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2e-8,
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0,
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0
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[
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]
] | -0.000019
| 7.997262
|
pbe
| true
|
a2d72aa2e453e444cbf3e25552b4b49d_63_Ba2Pr8Te12
|
[
"Ba",
"Pt",
"Zn"
] | 14
|
A3B3C
|
BaPt3Zn3
|
Ba2 Zn6 Pt6
| 3
|
[
1,
1,
1
] | 3
|
[
[
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0
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6.95524624,
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agm005403296
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|
[
"Zn",
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"Zn",
"Zn",
"Zn",
"Zn",
"Ba",
"Ba",
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"Pt",
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"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
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[
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[
0,
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[
0,
0,
0
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| 7.047101
|
pbe
| true
|
281d99bde3cefae3b06900995f8d1a84_223_Ba2Zn6Pt6
|
[
"Ba",
"Ru",
"Sn"
] | 11
|
A6B4C
|
BaRu4Sn6
|
Ba1 Sn6 Ru4
| 3
|
[
1,
1,
1
] | 3
|
[
[
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agm002236151
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[
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[
3.533518903911859,
0.005774519224305325,
4.94770293698461
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] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
|
[
"Ru",
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"Ru",
"Ru",
"Ba",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.09090909090909091,
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0.5454545454545454
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[
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[
0.00335294,
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0.00498718
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[
-0.00078507,
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-0.00068858
]
] | -0.000031
| 8.700614
|
pbe
| true
|
c0280cf8362e7ce3c822a24e008e9465_121_Ba1Sn6Ru4
|
[
"Ba",
"Sr",
"Tc"
] | 4
|
A2BC
|
BaSrTc2
|
Ba1 Sr1 Tc2
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.61167375,
0,
0
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[
0,
5.61167375,
0
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[
0,
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agm004081878
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Ba",
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"Tc",
"Tc"
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2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
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[
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0,
0
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[
0,
2.8546576,
0
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[
0,
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] | -18.937702
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[
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2.153,
2.153
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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
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] | 4.783238
| 4.274051
|
pbe
| true
|
40049e8c173cda915bbc464944dd168d_123_Ba1Sr1Tc2
|
[
"Ba",
"Sr",
"Y"
] | 4
|
A2BC
|
BaSr2Y
|
Ba1 Sr2 Y1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.95005292,
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0
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[
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[
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agm003866804
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[
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ba",
"Sr",
"Sr",
"Y"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
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[
[
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0
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0.1576165,
1.160634,
0
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[
0,
0,
0.9657247
]
] | -11.094199
|
[
0,
0,
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0.004
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[
[
0,
0,
0
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[
0,
0,
0.00247624
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[
0,
0,
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[
0,
0,
0
]
] | 0.012456
| 6.135782
|
pbe
| true
|
f4e92c75fc0710673d2582f3f7cc6041_65_Ba1Sr2Y1
|
[
"Ba",
"Tl",
"Zn"
] | 5
|
A3BC
|
BaTlZn3
|
Ba1 Tl1 Zn3
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.38652057,
0,
0
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[
0,
5.38652057,
0
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[
0,
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5.38652057
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agm002625355
|
[
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[
0,
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[{"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Zn",
"Zn",
"Zn",
"Tl",
"Ba"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
] |
[
[
2.4276133,
0,
0
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[
0,
2.4276133,
0
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[
0,
0,
2.4276133
]
] | -7.213943
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[
0,
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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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[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 3.906332
|
pbe
| true
|
f9bd3218e50d3c73b341da6e559d50b3_221_Ba1Tl1Zn3
|
[
"Be",
"Ce",
"Ge"
] | 18
|
ABC
|
BeCeGe
|
Ce6 Be6 Ge6
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.11410574,
0,
0
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[
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[
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agm001001032
|
[
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[
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0,
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[
3.05705287,
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] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
|
[
"Ce",
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"Be",
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"Be",
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"Ge",
"Ge",
"Ge",
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] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
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[
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[
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[
0,
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[
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[
0,
0,
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[
0,
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] | 4.931352
| 25.934872
|
pbe
| true
|
d3ae4a852b6ff8fb0823b27187ca45d7_180_Ce6Be6Ge6
|
[
"Be",
"Cu",
"Sc"
] | 3
|
ABC
|
BeCuSc
|
Sc1 Be1 Cu1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.97043833,
0,
0
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[
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0
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[
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agm004048360
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[
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1.9852191865188582,
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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Sc",
"Be",
"Cu"
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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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] | -14.579418
|
[
0,
0,
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[
[
0,
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0.007872
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[
0,
0,
-0.00347558
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[
0,
0,
-0.00439643
]
] | 0.000022
| 1.706945
|
pbe
| true
|
254c24d45ec2f91d1e00bc33a5adc93c_187_Sc1Be1Cu1
|