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float64 -2,749.01
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listlengths 0
444
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listlengths 0
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float64 -340.3
383
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float64 -14.23
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class | entalpic_fingerprint
stringlengths 37
62
⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ce",
"La",
"Nd"
] | 4
|
A2BC
|
Ce2LaNd
|
La1 Ce2 Nd1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.75915491,
0,
0
],
[
2.87957746,
4.98757446,
0
],
[
2.87957746,
1.66252482,
4.70233029
]
] |
agm001092224
|
[
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0,
0,
0
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2.8795774575,
1.66252482,
1.1755825725
],
[
8.638732372500002,
4.98757446,
3.5267477175
],
[
5.759154915,
3.32504964,
2.351165145
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
|
[
"Nd",
"Ce",
"Ce",
"La"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
1.8830929,
0,
0
],
[
0,
1.8830929,
0
],
[
0,
0,
1.8830929
]
] | -20.482573
|
[
0.273,
1.096,
1.096,
0.304
] |
[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.25604
| 15.284105
|
pbe
| true
|
95e2cd521f22e096bd17ba1a04bc927d_225_La1Ce2Nd1
|
[
"Nd",
"Pt",
"Ti",
"Zn"
] | 5
|
A2BCD
|
NdPt2TiZn
|
Nd1 Ti1 Zn1 Pt2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.03725377,
0,
0
],
[
0,
4.03725377,
0
],
[
-2.01862688,
-2.01862688,
6.042359
]
] |
agm005017390
|
[
[
0,
0,
0
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[
2.5000002068509275e-9,
2.018626887500001,
3.0211795
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[
2.018626887500001,
2.5000002068509275e-9,
3.0211795
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[
2.0186268659393325,
2.0186268659393325,
1.36025724782257
],
[
2.4060668160477776e-8,
2.4060668160477776e-8,
4.68210175217743
]
] |
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Nd",
"Ti",
"Zn",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
3.4945002,
0,
0
],
[
0,
3.4945002,
0
],
[
0,
0,
3.8221397
]
] | -30.267656
|
[
0,
-0.001,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
-0.00204122
],
[
0,
0,
0.00204122
]
] | -0.001055
| 5.513332
|
pbe
| true
|
592f7444d4bbcfa4d71eca2acb0d6359_119_Nd1Ti1Zn1Pt2
|
[
"Ce",
"Lu",
"Th"
] | 4
|
A2BC
|
Ce2LuTh
|
Ce2 Lu1 Th1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.39524609,
0,
0
],
[
1.69762305,
2.94036937,
0
],
[
1.69762305,
0.98012312,
12.02724805
]
] |
agm001978242
|
[
[
0,
0,
0
],
[
1.6976247637257882,
0.9801241107978433,
8.875547989778468
],
[
5.092867426274212,
2.9403683792021567,
3.1517000602215326
],
[
3.395246095,
1.960246245,
6.013624025
]
] |
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Lu",
"Ce",
"Ce",
"Th"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
1.9676638,
0,
0
],
[
0,
1.9676638,
0
],
[
0,
0,
1.9645256
]
] | -22.984677
|
[
0.055,
0.602,
0.602,
-0.022
] |
[
[
0,
0,
0
],
[
0,
0,
-0.01307939
],
[
0,
0,
0.01307939
],
[
0,
0,
0
]
] | 1.537062
| 9.713191
|
pbe
| true
|
53098e8eec398828b68a1b5b51f5c398_166_Ce2Lu1Th1
|
[
"Ce",
"Mg",
"Sc"
] | 4
|
A2BC
|
Ce2MgSc
|
Ce2 Mg1 Sc1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.16085666,
0,
0
],
[
1.58042833,
2.73738217,
0
],
[
1.58042833,
0.91246072,
12.24680849
]
] |
agm001961830
|
[
[
3.16085666,
1.824921445,
6.123404245
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[
0,
0,
0
],
[
1.5804299262326131,
0.9124616424773507,
8.969488199948465
],
[
4.741283393767386,
2.7373812475226496,
3.277320290051534
]
] |
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Sc",
"Mg",
"Ce",
"Ce"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
3.5928907,
0,
0
],
[
0,
3.5928907,
0
],
[
0,
0,
3.5580735
]
] | -18.978375
|
[
0.048,
-0.001,
0.362,
0.362
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00315291
],
[
0,
0,
0.00315291
]
] | 0.983667
| 9.932476
|
pbe
| true
|
7f42e6d0dff279788434ed4bf2a5f462_166_Ce2Mg1Sc1
|
[
"Nd",
"Rh",
"Sc",
"Si"
] | 5
|
A2BCD
|
NdRhScSi2
|
Nd1 Sc1 Si2 Rh1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.13844679,
0,
0
],
[
0,
4.13844679,
0
],
[
-2.0692234,
-2.06922339,
5.57750601
]
] |
agm005019110
|
[
[
0,
0,
0
],
[
-2.4999999848063226e-9,
2.0692233975,
2.788753005
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[
2.0692233939273423,
2.069223396072658,
1.1965509536845553
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[
-3.927342259084438e-9,
3.927342293178945e-9,
4.380955056315444
],
[
2.0692233924999996,
2.4999999848063226e-9,
2.788753005
]
] |
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Nd",
"Sc",
"Si",
"Si",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
3.7622895,
0,
0
],
[
0,
3.7622895,
0
],
[
0,
0,
3.7298489
]
] | -33.873027
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00265489
],
[
0,
0,
-0.00265489
],
[
0,
0,
0
]
] | -0.000001
| 2.74995
|
pbe
| true
|
361514fede3d2af641ca48e1375c086d_119_Nd1Sc1Si2Rh1
|
[
"Au",
"Co",
"Ni",
"Th"
] | 10
|
A2BCD
|
AuCoNiTh2
|
Th4 Co2 Ni2 Au2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.1293512,
0,
0
],
[
0,
7.39149867,
-0.64771092
],
[
0,
-3.81111928,
7.17508534
]
] |
agm005002224
|
[
[
3.0970134000000002,
3.0047807849305173,
4.25523004551087
],
[
3.0970134000000002,
5.196133868905893,
0.11694956112127056
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[
1.0323378,
0.5755986050694812,
2.2721443744891308
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[
1.0323378,
-1.615754478905892,
6.41042485887873
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[
1.0323378,
2.8439586094889657,
6.119077696244986
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[
3.0970134000000002,
0.7364207805110343,
0.40829672375501397
],
[
1.0323378,
0.7462889516636437,
5.005438905581117
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[
3.0970134000000002,
2.8340904383363554,
1.5219355144188833
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[
1.0323378,
4.496206018808358,
2.3941946366887086
],
[
3.0970134000000002,
-0.9158266288083593,
4.1331797833112915
]
] |
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Th",
"Th",
"Th",
"Th",
"Co",
"Co",
"Ni",
"Ni",
"Au",
"Au"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
-1.2610041,
0,
0
],
[
0,
-1.2926359,
0.02870449
],
[
0,
0.02870451,
-1.3119308
]
] | -66.429289
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
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0.00095254
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[
0,
-0.0017172,
0.00136239
],
[
0,
0.00088001,
-0.00095254
],
[
0,
0.0017172,
-0.00136239
],
[
0,
0.00068168,
0.00309939
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[
0,
-0.00068168,
-0.00309939
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[
0,
-0.0073776,
0.00850728
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[
0,
0.0073776,
-0.00850728
],
[
0,
-0.00102372,
0.0014131
],
[
0,
0.00102372,
-0.0014131
]
] | -0
| 5.278962
|
pbe
| true
|
5017eb9fba7c8955e45b6aac5c5ac55b_11_Th4Co2Ni2Au2
|
[
"K",
"Pt",
"Tb",
"Te"
] | 12
|
A3BCD
|
KPtTbTe3
|
K1 Pt1 Tb1 Te3
| 4
|
[
1,
1,
1
] | 3
|
[
[
2.150022789,
-8.788045785,
0
],
[
2.150022789,
8.788045785,
0
],
[
0,
0,
10.496394459
]
] |
oqmd-7477298
|
[
[
2.15002,
4.31526,
2.6241
],
[
2.15002,
-4.31526,
7.872300000000001
],
[
2.1500200000000005,
-8.722490000000002,
2.6241
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[
2.1500200000000005,
8.722490000000002,
7.872300000000001
],
[
2.15002,
-3.273045049011492e-16,
0
],
[
2.15002,
-3.273045049011492e-16,
5.2482
],
[
2.15002,
-6.71668,
0.8730200000000001
],
[
2.15002,
-1.6097500000000002,
2.6241
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[
2.15002,
-6.71668,
4.37518
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[
2.1500200000000005,
6.71668,
6.12122
],
[
2.15002,
1.6097500000000005,
7.872300000000001
],
[
2.1500200000000005,
6.71668,
9.62337
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"K",
"K",
"Pt",
"Pt",
"Tb",
"Tb",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.5
] |
[
[
0.23779346,
0,
0
],
[
0,
1.21654065,
0
],
[
0,
0,
0.28926748
]
] | -53.7604
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0.000504,
0
],
[
0,
-0.000504,
0
],
[
0,
0.0011,
0
],
[
0,
-0.0011,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.034972,
-0.000612
],
[
0,
-0.007502,
0
],
[
0,
-0.034972,
0.000612
],
[
0,
0.034972,
-0.000612
],
[
0,
0.007502,
0
],
[
0,
0.034972,
0.000612
]
] | -0.00999
| null |
pbe
| true
|
b24f95fdd05dbdec36adfabcd55b97ae_63_K2Tb2Te6Pt2
|
[
"Cl",
"La",
"Y"
] | 4
|
A2BC
|
ClLaY2
|
La1 Y2 Cl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.59619986,
0,
0
],
[
2.79809993,
4.84645124,
0
],
[
2.79809993,
1.61548375,
4.56927805
]
] |
agm003906199
|
[
[
5.59619986,
3.2309674950000002,
2.284639025
],
[
8.39429979,
4.846451242500001,
3.4269585375
],
[
0,
0,
0
],
[
2.79809993,
1.6154837475000001,
1.1423195125
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
|
[
"Cl",
"La",
"Y",
"Y"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
0.17818907,
0,
0
],
[
0,
0.17818907,
0
],
[
0,
0,
0.17818907
]
] | -19.560079
|
[
0,
0,
-0.001,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.002643
| 7.276083
|
pbe
| true
|
038caab7d1a7a857076e2d58b16d9042_216_La1Y2Cl1
|
[
"Ce",
"Mn",
"U"
] | 6
|
A4BC
|
CeMn4U
|
Ce1 U1 Mn4
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.0614008,
0,
0
],
[
2.5307004,
4.38330168,
0
],
[
2.5307004,
1.46110056,
4.13261645
]
] |
agm001179749
|
[
[
5.0614033307004,
2.9221996588994403,
0.5179219336213235
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[
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|
[
"Mn",
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2023-11-16 06:57:59
|
[
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[
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pbe
| true
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af7fbf41adf34b9142e0182c5f8157eb_216_Ce1U1Mn4
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[
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|
A5BCD
|
NdS5ThU
|
Nd4 S20 Th4 U4
| 4
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1
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mp-1220185
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2019-01-12 21:04:21
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| 7.44625
|
pbe
| true
|
b2335c902110f4458e1b00f2267a7a58_19_Nd4Th4U4S20
|
[
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|
A2BC
|
CeMn2V
|
Ce1 Mn2 V1
| 3
|
[
1,
1,
1
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[
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agm001983305
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|
[
"Mn",
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2023-11-16 06:57:59
|
[
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[
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| 7.755218
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pbe
| true
|
d563628e00be23fd565b5954f20169bb_166_Ce1Mn2V1
|
[
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|
A2BCD
|
AuLa2PtZn
|
La4 Zn2 Pt2 Au2
| 4
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[
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1
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[
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agm005001056
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|
[
"La",
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2023-11-16 06:57:59
|
[
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[
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| 8.087404
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pbe
| true
|
36834d6981c08f4426d872651b2384d9_11_La4Zn2Pt2Au2
|
[
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|
A2BCD
|
La2NdTbY
|
La4 Tb2 Nd2 Y2
| 4
|
[
1,
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1
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[
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agm004993995
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|
[
"La",
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2023-11-16 06:57:59
|
[
0.4,
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[
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[
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[
0,
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| 12.699432
|
pbe
| true
|
ce9ae93bf379b095ae6adf59c6f1c369_51_La4Tb2Nd2Y2
|
[
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|
A8B3C2D2
|
La2O8Se2Ta3
|
La8 O32 Se8 Ta12
| 4
|
[
1,
1,
1
] | 3
|
[
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0,
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[
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mp-1211581
|
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2019-01-12 13:55:17
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A6B2CD
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Nd6Sc2SmY
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Nd12 Sm2 Y2 Sc4
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2023-11-16 06:57:59
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52861a9fcf197be628cc26e7235ec51b_15_Nd12Sm2Y2Sc4
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A2BC
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Cl2LaZn
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La1 Zn1 Cl2
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[
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2023-11-16 06:57:59
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| true
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824b0197ca8320f5dc263ced2505561a_119_La1Zn1Cl2
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A2BC
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ClLi2Na
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Na2 Li4 Cl2
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agm002844686
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2023-11-16 06:57:59
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|
pbe
| true
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091dc34fa49a79a73c1a2b813a5abcf2_122_Na2Li4Cl2
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[
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ABC
|
CeNbTh
|
Ce2 Th2 Nb2
| 3
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[
1,
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1
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[
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agm001055518
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[
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2023-11-16 06:57:59
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pbe
| true
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84a0db07d9790c28f3081fad96778b47_12_Ce2Th2Nb2
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[
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A6B3C2
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Bi3Ce6H2
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Ce6 Bi3 H2
| 3
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agm003348083
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[
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2023-11-16 06:57:59
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pbe
| true
|
561e390f8bd1a015cc46a54d8bafe318_139_Ce6Bi3H2
|
[
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A2BC
|
ClLi2Sr
|
Sr1 Li2 Cl1
| 3
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1
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[
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2023-11-16 06:57:59
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[
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pbe
| true
|
beb5f27a4064d90aef4a1cb14fcf2837_47_Sr1Li2Cl1
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[
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A2BCD
|
NiNpRuSi2
|
Np1 Si2 Ni1 Ru1
| 4
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agm005018205
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2023-11-16 06:57:59
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| 9.707563
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pbe
| true
|
e65d003d351e951ef6e87adac0d64bb5_119_Np1Si2Ni1Ru1
|
[
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A2BC
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ClHg2Tc
|
Tc1 Hg2 Cl1
| 3
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[
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[
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agm004042338
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2023-11-16 06:57:59
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pbe
| true
|
bf5e8d74a73d84b8dee583c3350e5dba_35_Tc1Hg2Cl1
|
[
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A2BC
|
AlIn2Tc
|
Al1 In2 Tc1
| 3
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[
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1
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[
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agm004033552
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[
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2023-11-16 06:57:59
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pbe
| true
|
30551e804cf153c10e87c989ae1c5874_160_Al1In2Tc1
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[
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A24B6C3D
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NiO24P6Sb3
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Ni1 O24 P6 Sb3
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[
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mp-775231
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2014-02-20 19:17:47
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[] | 2.836
| 1.027672
|
pbe
| true
|
c396424b7932a04a80b3c37aab77c717_146_Ni1Sb3P6O24
|
[
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|
A9B2CD
|
NiO9P2Sb
|
Ni4 O36 P8 Sb4
| 4
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[
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mp-1043461
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2017-12-03 20:59:48
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52ab6163329bf283607d0d1423b8447c_2_Ni4Sb4P8O36
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A2BC
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AlInTe2
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Al1 In1 Te2
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2023-11-16 06:57:59
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ad230ab104d692c21179e08fdc581ffd_123_Al1In1Te2
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A2BC
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ClLi2Ta
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Li2 Ta1 Cl1
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agm004082789
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[
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2023-11-16 06:57:59
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913a92f48d0d0ccce91082ed79231b4f_123_Li2Ta1Cl1
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A9B2CD
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NiO9P2W
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Ni4 O36 P8 W4
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mp-1043389
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2017-12-03 19:54:04
|
[
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[] | -361.508489
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[] | 7.864
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pbe
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3a9ba2bc307cb1871567852a28c18b60_62_Ni4P8W4O36
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A14B4C3D
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Ni3O14P4Zn
|
Ni6 O28 P8 Zn2
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mp-1043713
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2017-12-04 08:10:03
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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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NiO6Pr2V
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Pr4 V2 Ni2 O12
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2023-11-16 06:57:59
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NiO12Rb2Si5
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3c7f9643a692d7cd9cdbc27b3f369952_61_Rb16Si40Ni8O96
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2023-11-16 06:57:59
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A6B2CD
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NiO6RhSm2
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Sm4 Ni2 Rh2 O12
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2023-11-16 06:57:59
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A8B2C2D
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La2O8Ti2Zn
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2023-11-16 06:57:59
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A12B3C2D
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LiMn2O12P3
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2021-03-05 04:04:50
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9a03c69c2334718512511e85df53559d_12_Li2Mn4P6O24
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A10B2C2D
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LiMn2O10S2
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Li1 Mn2 S2 O10
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agm005280649
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2023-11-16 06:57:59
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pbe
| true
|
f90820a1a42242f297286ae53c50d0a9_1_Li1Mn2S2O10
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[
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A2BC
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AlIP2
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Al2 P4 I2
| 3
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agm002789541
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[
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2023-11-16 06:57:59
|
[
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| 0.115807
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pbe
| true
|
15f7dfde33d5aa18b0b3042c2c717b66_122_Al2P4I2
|
[
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|
A4B2CD
|
Li2MnO4Sn
|
Li4 Mn2 O8 Sn2
| 4
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[
1,
1,
1
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[
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mp-773184
|
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
|
[
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2020-04-29 09:25:43
|
[
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| 4.56303
|
pbe
| true
|
31b3f0d0391a7828ebe92719ec757c90_15_Li4Mn2Sn2O8
|
[
"Ni",
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|
A9B3C2D
|
NiO9Se3Sr2
|
Ni4 O36 Se12 Sr8
| 4
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[
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1
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[
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mp-1194096
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NiO6Sr2Te
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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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pbe
| true
|
83041e20789a0e18115f28d083056eb1_15_V4Zn2Ni2O12
|
[
"Al",
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"Zn"
] | 4
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A2BC
|
Al2InZn
|
Al2 Zn1 In1
| 3
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[
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1
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agm004145875
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[
"Zn",
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2023-11-16 06:57:59
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|
pbe
| true
|
cf990dc8a86c852bf7335d37f971e267_99_Al2Zn1In1
|
[
"Na",
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A8B6CD
|
NaO8Pd6Tm
|
Na1 Tm1 Pd6 O8
| 4
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[
1,
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1
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agm003220186
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2023-11-16 06:57:59
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pbe
| true
|
39626ec7f461e3353a6b5bb87e085a57_200_Na1Tm1Pd6O8
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[
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A2BC
|
AlInZn2
|
Al1 Zn2 In1
| 3
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[
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1,
1
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[
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agm004145962
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[
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2023-11-16 06:57:59
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pbe
| true
|
7f64824bd4279da8d46d7847246fed1e_25_Al1Zn2In1
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[
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A6B2CD
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NaO6Ti2Tl
|
Na1 Ti2 Tl1 O6
| 4
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[
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[
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agm005288836
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2023-11-16 06:57:59
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pbe
| true
|
d6987d7fb697d086badf8fa8923a4d3e_107_Na1Ti2Tl1O6
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[
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A12B4C3D
|
Na3O12TlV4
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Na3 Tl1 V4 O12
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1
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agm004708137
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2023-11-16 06:57:59
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pbe
| true
|
b73157c2d477cb7f1daefbd009dbffb0_155_Na3Tl1V4O12
|
[
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A3BCD
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CdPbTbTe3
|
Cd1 Pb1 Tb1 Te3
| 4
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[
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1
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[
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oqmd-4918616
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2024-11-01 00:00:00
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[
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pbe
| true
|
6a91f140fe01097725dcff0508ad5d70_63_Tb2Cd2Te6Pb2
|
[
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"Sb"
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|
A4B3C2D2
|
Ce4O2Pm2Sb3
|
Ce4 Pm2 Sb3 O2
| 4
|
[
1,
1,
1
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|
[
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agm004489624
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2023-11-16 06:57:59
|
[
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pbe
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9edbc8c168f04c781edc9e23bb88010a_139_Ce4Pm2Sb3O2
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A10B5C3D2
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Co2Fe3Li5O10
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Li5 Fe3 Co2 O10
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agm003225329
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2023-11-16 06:57:59
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|
e509ee9cc0a76bc8899406cbae555c5c_2_Li5Fe3Co2O10
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[
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A2BCD
|
NiP2RhSr
|
Sr1 Ni1 P2 Rh1
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1
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[
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agm005007188
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|
[
"Sr",
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2023-11-16 06:57:59
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[
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pbe
| true
|
b2141cc286f59528eb23c5e38b6b128b_119_Sr1Ni1P2Rh1
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[
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A6B2CD
|
CoH6La2Li
|
Li1 La2 Co1 H6
| 4
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[
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[
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agm004965129
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2023-11-16 06:57:59
|
[
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[
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pbe
| true
|
867f836baa9d557be8702366dbce70b0_164_Li1La2Co1H6
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[
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ABCD
|
NiPSSe
|
Ni3 P3 Se3 S3
| 4
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[
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agm002125038
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[
"Ni",
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2023-11-16 06:57:59
|
[
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pbe
| true
|
28f66beeed70dfd4a005e6f950e3c618_160_Ni3P3Se3S3
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[
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|
A12B7C3D2
|
Co3Li7Mn2O12
|
Li7 Mn2 Co3 O12
| 4
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[
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1,
1
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agm005241477
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|
[
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2023-11-16 06:57:59
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[
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pbe
| true
|
3b459dcd827600afaf13c3caeda9ca42_2_Li7Mn2Co3O12
|
[
"Al",
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A3BC
|
AlI3Se
|
Al1 Se1 I3
| 3
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[
1,
1,
1
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[
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agm002397361
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
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2023-11-16 06:57:59
|
[
0.2,
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1.174
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| 1.881126
|
pbe
| true
|
3e44f26f2e50580c7e09485c0638a248_221_Al1Se1I3
|
[
"Co",
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"O"
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|
A12B7C3D2
|
Co3Li7Mn2O12
|
Li7 Mn2 Co3 O12
| 4
|
[
1,
1,
1
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|
[
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1.459733,
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agm005248413
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|
[
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2023-11-16 06:57:59
|
[
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| 2.789223
|
pbe
| true
|
f3664e631d7daa40e1307213f41d0023_8_Li7Mn2Co3O12
|
[
"Ni",
"P",
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|
A2BCD
|
NiP2TcTm
|
Tm1 Tc1 Ni1 P2
| 4
|
[
1,
1,
1
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|
[
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0
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agm005021667
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[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Tm",
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2023-11-16 06:57:59
|
[
0.2,
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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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[
0,
0,
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[
0,
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| 2.072439
|
pbe
| true
|
c58a19e7a7fbab243c54fe420eea98f2_119_Tm1Tc1Ni1P2
|
[
"Cr",
"F",
"Li",
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|
A6B2CD
|
CrF6LiRb2
|
Rb2 Li1 Cr1 F6
| 4
|
[
1,
1,
1
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[
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agm002283595
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
|
[
"Cr",
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2023-11-16 06:57:59
|
[
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0.2
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[
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[
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[
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| 0
|
pbe
| true
|
83e3cc80bdebe701bdbd978dcafcb11a_225_Rb2Li1Cr1F6
|
[
"Al",
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] | 4
|
A2BC
|
AlInZn2
|
Al1 Zn2 In1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.74580241,
0,
0
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0,
4.74580241,
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[
0,
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3.39361855
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agm004145951
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Zn",
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2023-11-16 06:57:59
|
[
0.25,
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0.5
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[
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0
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[
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[
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[
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[
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[
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[
0,
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[
0,
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0
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| 1.955134
|
pbe
| true
|
deb301b10d59862dd8c2f2aa8108a593_123_Al1Zn2In1
|
[
"Ni",
"Pa",
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] | 6
|
A2B2CD
|
NiPaRu2Si2
|
Pa1 Si2 Ni1 Ru2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.30197534,
0,
0
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[
0,
4.30197534,
0
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[
0,
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5.30610029
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] |
agm004748018
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[
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2023-11-16 06:57:59
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pbe
| true
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9d831dde437d0a581610c9c94f46be98_123_Pa1Si2Ni1Ru2
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A12B4C3D
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Ni4PbS12Ta3
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Ta3 Ni4 Pb1 S12
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2023-11-16 06:57:59
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| true
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da562bdd3c63486e42bdb43a745e0a5b_155_Ta3Ni4Pb1S12
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A6B2CD
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Cs2NpS6Ti
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Cs2 Np1 Ti1 S6
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agm004984946
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2023-11-16 06:57:59
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pbe
| true
|
09e2f94acc36d9afea496bb37b0401a0_225_Cs2Np1Ti1S6
|
[
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A2BCD
|
NiPd2PtV
|
V1 Ni1 Pd2 Pt1
| 4
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[
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agm005015226
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|
[
"V",
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2023-11-16 06:57:59
|
[
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pbe
| true
|
33e1fb5fd67dec9ec46200e1d14a2ca6_107_V1Ni1Pd2Pt1
|
[
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A2BC
|
ClInPb2
|
In1 Pb2 Cl1
| 3
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[
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[
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agm004039340
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[
"Pb",
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2023-11-16 06:57:59
|
[
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pbe
| true
|
57b4c63c4996370b2aab26e8a6c71699_123_In1Pb2Cl1
|
[
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ABC
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ClIrNi
|
Ni1 Ir1 Cl1
| 3
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[
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[
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agm003873870
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[
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2023-11-16 06:57:59
|
[
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| 4.574525
|
pbe
| true
|
a0f4f4c418ff57d493a3bd9981cffd59_42_Ni1Ir1Cl1
|
[
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A2BCD
|
NdPmSm2Tm
|
Pm2 Nd2 Sm4 Tm2
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[
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agm004997568
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|
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2023-11-16 06:57:59
|
[
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pbe
| true
|
90a11b5c24779c31a42faff2e87cf250_13_Pm2Nd2Sm4Tm2
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[
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|
A12B4CD
|
CsO12P4Pr
|
Cs1 O12 P4 Pr1
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[
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[
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oqmd-2012204
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2024-11-01 00:00:00
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pbe
| true
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9d72c2c5e772e8d71194e04de0b8e5ea_4_Cs2Pr2P8O24
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[
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A2BC
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Cl2MgSc
|
Mg1 Sc1 Cl2
| 3
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[
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1
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agm004423226
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[
"Cl",
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2023-11-16 06:57:59
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2d4e8b0b7266d5fff68a4cbfb36049b7_119_Mg1Sc1Cl2
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A2BCD
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NiPrRuSi2
|
Pr1 Si2 Ni1 Ru1
| 4
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agm005018198
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[
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2023-11-16 06:57:59
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[
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pbe
| true
|
e761121e85894e6c6f892d45a242c157_119_Pr1Si2Ni1Ru1
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[
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A2BCD
|
CuKTe2Zn
|
K1 Zn1 Cu1 Te2
| 4
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[
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agm003194087
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|
[
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2023-11-16 06:57:59
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pbe
| true
|
1c5b6e7173e3dd43cf139970660fd8c4_119_K1Zn1Cu1Te2
|
[
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A3BC
|
Al3ISi
|
Al3 Si1 I1
| 3
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[
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agm002398776
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[
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2023-11-16 06:57:59
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[
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pbe
| true
|
e3abdc3bb5f9054c2fbcc2768f4249ff_221_Al3Si1I1
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[
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A6B2CD
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Ni2PtRhSe6
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Ni4 Pt2 Rh2 Se12
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[
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agm004976942
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2023-11-16 06:57:59
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0.00169873,
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0.00137219
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[
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0.00370978
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[
0.00047453,
0.00364835,
0.00172497
],
[
-0.00047453,
-0.00158857,
-0.00370978
]
] | -0.000148
| 14.510603
|
pbe
| true
|
10a5ba75f222fb96018a90028636331e_15_Ni4Pt2Rh2Se12
|
[
"Dy",
"F",
"N",
"Si"
] | 10
|
A6B2CD
|
Dy6FNSi2
|
Dy6 Si2 N1 F1
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.64843926,
0,
0
],
[
3.32421963,
5.75771729,
0
],
[
3.32421963,
1.9192391,
5.42842792
]
] |
agm002292954
|
[
[
0,
0,
0
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1.9192390975000002,
1.35710698
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[
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4.07132094
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[
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2.71421396
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4.104147403612148
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4.104147403612148
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4.821309557501876,
1.324280516387851
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4.946125402013283,
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4.104147403612148
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4.821309557501876,
1.324280516387851
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[
6.648439259999999,
1.8728154674357755,
1.324280516387851
]
] |
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"N",
"Si",
"Si",
"F",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy"
] |
2023-11-16 06:57:59
|
[
0.6,
0.1,
0.1,
0.2
] |
[
[
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0,
0
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[
0,
0.4018315,
0
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[
0,
0,
0.4018315
]
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[
0,
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0,
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[
[
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[
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[
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[
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0.00018896
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[
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0.00018896
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[
0.00023143,
0.00013362,
-0.00018896
],
[
0,
-0.00026723,
-0.00018896
]
] | -0.00004
| 8.683753
|
pbe
| true
|
0d032a44176197883e1e331637b4e78b_225_Dy6Si2N1F1
|
[
"Dy",
"La",
"Nd",
"Pr"
] | 10
|
A2BCD
|
DyLa2NdPr
|
La4 Pr2 Nd2 Dy2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.94564513,
0,
0
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[
0,
6.37839201,
0.88074654
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[
0,
1.89179125,
9.69312387
]
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agm004997085
|
[
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6.42940565596207,
8.449087250058987
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[
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1.8407776040379298,
2.124783159941014
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5.827001239115152
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[
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4.74686917088485
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[
4.4592338475,
4.013563630135841,
2.389321158393413
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[
1.4864112825,
4.256619629864159,
8.184549251606587
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[
4.4592338475,
3.4613711701781122,
6.14265964817174
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[
1.4864112825,
4.808812089821888,
4.43121076182826
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[
1.4864112825,
7.232923446103475,
10.41849904869192
],
[
4.4592338475,
1.0372598138965254,
0.1553713613080812
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
|
[
"La",
"La",
"La",
"La",
"Pr",
"Pr",
"Nd",
"Nd",
"Dy",
"Dy"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
1.993357,
0,
0
],
[
0,
2.6528087,
0.23363186
],
[
0,
0.23363183,
1.804969
]
] | -47.667725
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[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
[
0,
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0.0232857
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[
0,
0.02726234,
-0.0232857
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[
0,
0.01971478,
0.01165149
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[
0,
-0.01971478,
-0.01165149
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[
0,
-0.00127914,
0.0007332
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[
0,
0.00127914,
-0.0007332
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[
0,
0.0117919,
0.02442355
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[
0,
-0.0117919,
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],
[
0,
-0.00810802,
0.0105184
],
[
0,
0.00810802,
-0.0105184
]
] | 0.000005
| 17.83598
|
pbe
| true
|
152afe32695a6db48a4d10a5b1d8565b_11_La4Pr2Nd2Dy2
|
[
"Al",
"Ir",
"La"
] | 10
|
A2B2C
|
Al2Ir2La
|
La2 Al4 Ir4
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.76217432,
0,
0
],
[
0,
7.76217432,
0
],
[
0,
0,
2.88322947
]
] |
agm002954033
|
[
[
1.3321871263789031,
5.213274286378903,
1.441614735
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[
5.213274286378903,
6.429987193621097,
1.441614735
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[
6.429987193621097,
2.5489000336210967,
1.441614735
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[
2.5489000336210967,
1.3321871263789031,
1.441614735
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[
2.947471384387025,
6.8285585443870245,
0
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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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[
3.88108716,
3.88108716,
0
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Ir",
"Ir",
"Ir",
"Ir",
"Al",
"Al",
"Al",
"Al",
"La",
"La"
] |
2023-11-16 06:57:59
|
[
0.4,
0.4,
0.2
] |
[
[
2.0538619,
0,
0
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[
0,
2.0538619,
0
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[
0,
0,
3.4323485
]
] | -67.178743
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[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00912838,
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0
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0
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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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[
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0
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[
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0
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[
0.01187296,
-0.01187296,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | -0.000001
| 5.273259
|
pbe
| true
|
6237d71ddae2b4922df74ab4aaf9d32a_127_La2Al4Ir4
|
[
"Cl",
"Mn",
"Pb"
] | 4
|
A2BC
|
Cl2MnPb
|
Mn1 Pb1 Cl2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.41666269,
0,
0
],
[
0,
3.41673985,
0
],
[
0,
0,
8.98780249
]
] |
agm003860287
|
[
[
1.708331345,
1.708369925,
6.864265720318838
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[
0,
0,
2.6311093437221524
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[
0,
0,
0.3877425175870153
],
[
1.708331345,
1.708369925,
3.5985861533719943
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
|
[
"Pb",
"Mn",
"Cl",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
2.2173102,
0,
0
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[
0,
2.2174103,
0
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[
0,
0,
2.484235
]
] | -18.33299
|
[
-0.008,
4.102,
0.061,
0.071
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[
[
0,
0,
0.00527995
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[
0,
0,
0.00704352
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[
0,
0,
-0.00549757
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[
0,
0,
-0.00682591
]
] | 4.572742
| 1.904764
|
pbe
| true
|
33b05d53f9db8b5ff37f7a5c7b85afa0_99_Mn1Pb1Cl2
|
[
"Cl",
"Mn",
"Sc"
] | 4
|
A2BC
|
ClMn2Sc
|
Sc1 Mn2 Cl1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.652775,
0,
0
],
[
2.3263875,
4.02942135,
0
],
[
2.3263875,
1.34314045,
3.79897488
]
] |
agm003897795
|
[
[
4.652775,
2.6862809,
1.89948744
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[
0,
0,
0
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[
2.3263875,
1.34314045,
0.94974372
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[
6.9791625,
4.02942135,
2.84923116
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]
|
[
"Cl",
"Mn",
"Mn",
"Sc"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
4.0657864,
0,
0
],
[
0,
4.0657864,
0
],
[
0,
0,
4.0657864
]
] | -24.981215
|
[
0.129,
3.372,
3.665,
-0.24
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.307694
| 6.185516
|
pbe
| true
|
f1f01d9fc5aa9fe7c3355137c141abf6_216_Sc1Mn2Cl1
|
[
"Cl",
"Ir",
"Os"
] | 4
|
A2BC
|
Cl2IrOs
|
Ir1 Os1 Cl2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.24432122,
0,
0
],
[
0,
2.94940794,
0.00425624
],
[
0,
-0.3428045,
4.98584661
]
] |
agm003961479
|
[
[
2.12216061,
0.6516508599999999,
1.2475257125
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[
2.12216061,
1.9549525799999998,
3.7425771375
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[
0,
2.556018171315359,
4.97488573436144
],
[
0,
1.3538869886846405,
2.510268540638561
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Ir",
"Os",
"Cl",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
1.5998638,
0,
0
],
[
0,
2.0642822,
-0.02852488
],
[
0,
-0.02852472,
2.0603716
]
] | -19.674813
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00575059,
-0.00075
],
[
0,
0.00575059,
0.00075
]
] | -0.00011
| 4.41923
|
pbe
| true
|
beaa8f210c5944202f319e7df17b4a96_10_Ir1Os1Cl2
|
[
"Ni",
"Rb",
"S",
"U"
] | 12
|
A3BCD
|
NiRbS3U
|
Ni1 Rb1 S3 U1
| 4
|
[
1,
1,
1
] | 3
|
[
[
1.924987324,
-7.373041994,
0
],
[
1.924987324,
7.373041994,
0
],
[
0,
0,
10.02075636
]
] |
oqmd-9466573
|
[
[
1.92499,
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2.5051899999999994
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[
1.92499,
6.94069,
7.515569999999999
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[
1.92499,
3.824030000000001,
2.5051899999999994
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[
1.92499,
-3.824030000000001,
7.515569999999999
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[
1.92499,
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0.6532599999999998
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[
1.92499,
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2.5051899999999994
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[
1.92499,
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4.35712
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[
1.92499,
5.663200000000001,
5.663639999999999
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[
1.92499,
0.8030000000000005,
7.515569999999999
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[
1.92499,
5.663200000000001,
9.367499999999998
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[
1.92499,
-7.526800119177004e-17,
0
],
[
1.92499,
-7.526800119177004e-17,
5.010379999999999
]
] |
[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
|
[
"Ni",
"Ni",
"Rb",
"Rb",
"S",
"S",
"S",
"S",
"S",
"S",
"U",
"U"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] |
[
[
14.13613,
0,
0
],
[
0,
12.04903,
0
],
[
0,
0,
13.54149
]
] | -75.4181
|
[
-0.288,
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-0.001,
-0.001,
-0.048,
-0.059,
-0.048,
-0.048,
-0.059,
-0.048,
1.384,
1.381
] |
[
[
0,
-0.010985,
0
],
[
0,
0.010985,
0
],
[
0,
0.00172,
0
],
[
0,
-0.00172,
0
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[
0,
0.167951,
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[
0,
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0
],
[
0,
0.167951,
0.032074
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[
0,
-0.167951,
-0.032074
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[
0,
0.123766,
0
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[
0,
-0.167951,
0.032074
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.00024
| null |
pbe
| true
|
9a582dd9ea6588a7faf4832d7e86cda6_63_Rb2U2Ni2S6
|
[
"Ni",
"Rb",
"Se",
"Sn"
] | 12
|
A3BCD
|
NiRbSe3Sn
|
Ni1 Rb1 Se3 Sn1
| 4
|
[
1,
1,
1
] | 3
|
[
[
2.082985994,
-7.049622186,
0
],
[
2.082985994,
7.049622186,
0
],
[
0,
0,
11.359526073
]
] |
oqmd-9041427
|
[
[
2.08299,
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2.83988
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[
2.08299,
1.0666999999999995,
8.51964
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[
2.08299,
3.08456,
2.83988
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[
2.08299,
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8.51964
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[
2.08299,
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0.62679
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[
2.08299,
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2.83988
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[
2.08299,
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5.05297
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[
2.08299,
1.86981,
6.306560000000001
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[
2.08299,
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[
2.08299,
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10.73273
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[
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2024-11-01 00:00:00
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| true
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98e0dd60c0d04de97cf09c2ef319b0a9_63_Rb2Ni2Sn2Se6
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A12B4C3D
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Ni4RbSe12Ta3
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Rb1 Ta3 Ni4 Se12
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1,
1
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2023-11-16 06:57:59
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pbe
| true
|
08ec582d419c331e2b7aa8a5a52bc560_155_Rb1Ta3Ni4Se12
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[
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A2BCDE
|
AgSe2SrTeTm
|
Ag1 Se2 Sr1 Te1 Tm1
| 5
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[
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1,
1
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oqmd-4994486
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|
[
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2024-11-01 00:00:00
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[
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pbe
| true
|
32275ffd387d4b14bbd0c132e40e0dc9_63_Sr2Tm2Ag2Te2Se4
|
[
"As",
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|
ABCDE
|
AsClKNRb
|
K1 Rb1 As1 N1 Cl1
| 5
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[
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[
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agm002102779
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[
"K",
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2023-11-16 06:57:59
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[
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pbe
| true
|
ecf43f5918c71ea8a1c7035c89ad4346_6_K1Rb1As1N1Cl1
|
[
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|
ABCDE
|
AuCaCsSeTl
|
Cs1 Ca1 Tl1 Au1 Se1
| 5
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[
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1
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[
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agm002052684
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|
[
"Cs",
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2023-11-16 06:57:59
|
[
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| 2.808157
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pbe
| true
|
f6e9cb8f162e8be0f33adcb7f0fc8d5b_156_Cs1Ca1Tl1Au1Se1
|
[
"H",
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ABCDE
|
HMoNbPdTe
|
Nb1 Te1 Mo1 H1 Pd1
| 5
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[
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1,
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[
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agm002080763
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|
[
"H",
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2023-11-16 06:57:59
|
[
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pbe
| true
|
6de2e3f34b00e0b049f253c097aabe29_6_Nb1Te1Mo1H1Pd1
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[
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|
A12B3C2D2E
|
Na3Nb2O12SmTi2
|
Na3 Sm1 Ti2 Nb2 O12
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[
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1,
1
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[
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agm003224616
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| 4.789072
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pbe
| true
|
78ddeaf81f425e1d7878e38c509446e9_1_Na42Zr9Zn15P36O144
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[
"Al",
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A3BC
|
AlIrMg3
|
Mg3 Al1 Ir1
| 3
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[
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agm002522521
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2023-11-16 06:57:59
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pbe
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cfadc9658c8f68e8711bb20418918e8d_221_Mg3Al1Ir1
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[
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A6BCDE
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NdNiO6RuSr
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Sr2 Nd2 Ni2 Ru2 O12
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2023-11-16 06:57:59
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| -0.2594
|
pbe
| true
|
58ce2988a7e265f0a7b51ed00667c0fa_7_Sr2Nd2Ni2Ru2O12
|
[
"O",
"P",
"Sn",
"Sr",
"Zn"
] | 26
|
A8B2CDE
|
O8P2SnSrZn
|
Sr2 Zn2 Sn2 P4 O16
| 5
|
[
1,
1,
1
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|
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agm003234004
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[{"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
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2023-11-16 06:57:59
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pbe
| true
|
6c970193d523ff0b7c273cf298a3a76d_2_Sr2Zn2Sn2P4O16
|