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[
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ABC
|
IrNiRh
|
Ni1 Ir1 Rh1
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1
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agm004237763
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[
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2023-11-16 06:57:59
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309a29205dfd85e0356fcfa1b48fb473_216_Ni1Ir1Rh1
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A3BCD
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LaPtRbS3
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La1 Pt1 Rb1 S3
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2024-11-01 00:00:00
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pbe
| true
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d32d4d1f2d002b7191aad0630df8c640_63_Rb2La2Pt2S6
|
[
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|
A2BC
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AlTcTi2
|
Ti2 Al1 Tc1
| 3
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[
1,
1,
1
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[
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agm001197821
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|
[
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2023-11-16 06:57:59
|
[
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pbe
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f0f6040e5de252c8f08a4e60ecb29e18_123_Ti2Al1Tc1
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[
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A2BC
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Be2HfO
|
Hf1 Be2 O1
| 3
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[
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1
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[
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agm002645367
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[
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2023-11-16 06:57:59
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pbe
| true
|
b7dd342b5e7438f561fb229a270c83fb_225_Hf1Be2O1
|
[
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|
ABC
|
AsBeTc
|
Be1 Tc1 As1
| 3
|
[
1,
1,
1
] | 3
|
[
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0
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2.29412987,
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0
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agm003158808
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
|
[
"Be",
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] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
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] | -19.59715
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[
0,
0,
0
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[
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0
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[
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0
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[
0.00096697,
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| 0.163167
|
pbe
| true
|
3c45e1f70e75e0cb1217f36f22f7973b_107_Be1Tc1As1
|
[
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] | 4
|
A2BC
|
Be2HgTc
|
Be2 Tc1 Hg1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.98754913,
0,
0
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[
0,
3.98754913,
0
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0,
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3.19794515
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agm004062401
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0,
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
|
[
"Be",
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2023-11-16 06:57:59
|
[
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| 2.549367
|
pbe
| true
|
92dbcdd4f30be11980adfb3091193785_123_Be2Tc1Hg1
|
[
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"V"
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|
A2BC
|
IrNi2V
|
V1 Ni2 Ir1
| 3
|
[
1,
1,
1
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|
[
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3.74734622,
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0
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[
0,
3.62159167,
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agm001230304
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[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Ni",
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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,
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[
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[
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[
0,
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[
0,
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0
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[
0,
0,
0
]
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| 2.54334
|
pbe
| true
|
b46116680e3110facce0f2b3cecf9c48_123_V1Ni2Ir1
|
[
"Cs",
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|
A4B3
|
Cs3Zr4
|
Cs3 Zr4
| 2
|
[
1,
1,
1
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|
[
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0
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[
-3.657873,
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oqmd-2824093
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[{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
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[
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2024-11-01 00:00:00
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[
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| null |
pbe
| true
|
bdf457784a2f5c449158c646bec6ba8e_176_Cs6Zr8
|
[
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|
A12BC
|
B12PaTh
|
Th1 Pa1 B12
| 3
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[
1,
1,
1
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|
[
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4.08812804,
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[
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agm005762277
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2023-11-16 06:57:59
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Ge2LiMn2
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2023-11-16 06:57:59
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Co2LuSc
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2023-11-16 06:57:59
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LaRuSi2Ta
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2023-11-16 06:57:59
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A5BCD
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LaS5ThU
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2019-01-12 23:27:21
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47b5446ba10a908353c77bad80a2a6c6_19_La4Th4U4S20
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A3BCD
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LaS3TlZn
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La1 S3 Tl1 Zn1
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2024-11-01 00:00:00
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0.027884,
0
],
[
0,
-0.027884,
0
],
[
0,
0.038758,
0
],
[
0,
-0.038758,
0
]
] | -0.006204
| null |
pbe
| true
|
5c6ac09ba9154d0e5b31058e787fe1b8_63_La2Tl2Zn2S6
|
[
"Ge",
"Mn",
"Ti"
] | 4
|
A2BC
|
GeMn2Ti
|
Ti1 Mn2 Ge1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.05561749,
0,
0
],
[
0,
3.05561749,
0
],
[
0,
0,
5.5484496
]
] |
agm001809070
|
[
[
1.527808745,
1.527808745,
0
],
[
0,
0,
4.224303946739088
],
[
0,
0,
1.324145653260912
],
[
1.527808745,
1.527808745,
2.7742248
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Ge",
"Mn",
"Mn",
"Ti"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
7.3518143,
0,
0
],
[
0,
7.3518143,
0
],
[
0,
0,
7.5906196
]
] | -31.791892
|
[
-0.076,
1.196,
1.196,
-0.429
] |
[
[
0,
0,
0
],
[
0,
0,
-0.00350761
],
[
0,
0,
0.00350761
],
[
0,
0,
0
]
] | 1.844498
| 2.338084
|
pbe
| true
|
714c6456f31b20ef6c8414460ac0c56a_123_Ti1Mn2Ge1
|
[
"Ge",
"Mo",
"Os"
] | 10
|
A2B2C
|
Ge2Mo2Os
|
Ge4 Mo4 Os2
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.76910719,
0,
0
],
[
0,
6.76910719,
0
],
[
0,
0,
3.33270274
]
] |
agm002980050
|
[
[
1.0468461499424544,
4.431399744942454,
1.66635137
],
[
4.431399744942454,
5.722261040057545,
1.66635137
],
[
5.722261040057545,
2.3377074450575455,
1.66635137
],
[
2.3377074450575455,
1.0468461499424544,
1.66635137
],
[
0,
0,
0
],
[
3.384553595,
3.384553595,
0
],
[
2.4068179987352885,
5.791371593735288,
0
],
[
5.791371593735288,
4.362289191264711,
0
],
[
4.362289191264711,
0.9777355962647115,
0
],
[
0.9777355962647115,
2.4068179987352885,
0
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"Mo",
"Mo",
"Mo",
"Mo",
"Os",
"Os",
"Ge",
"Ge",
"Ge",
"Ge"
] |
2023-11-16 06:57:59
|
[
0.4,
0.4,
0.2
] |
[
[
5.3779097,
0,
0
],
[
0,
5.3779097,
0
],
[
0,
0,
3.4214137
]
] | -81.669359
|
[
0.001,
-0.001,
-0.001,
0.001,
0,
0,
0,
0,
0,
0
] |
[
[
-0.0141547,
-0.0141547,
0
],
[
-0.0141547,
0.0141547,
0
],
[
0.0141547,
0.0141547,
0
],
[
0.0141547,
-0.0141547,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00601227,
0.00601227,
0
],
[
0.00601227,
-0.00601227,
0
],
[
-0.00601227,
-0.00601227,
0
],
[
-0.00601227,
0.00601227,
0
]
] | 0
| 9.672009
|
pbe
| true
|
193336f43341d2731b258a8bd9478e4c_127_Ge4Mo4Os2
|
[
"Ge",
"Mo",
"Y"
] | 4
|
A2BC
|
GeMoY2
|
Ge1 Mo1 Y2
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.47776,
3.47776
],
[
3.47776,
0,
3.47776
],
[
3.47776,
3.47776,
0
]
] |
oqmd-2321933
|
[
[
3.47776,
3.47776,
3.47776
],
[
1.73888,
1.73888,
1.73888
],
[
0,
0,
0
],
[
5.21664,
5.21664,
5.21664
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ge",
"Mo",
"Y",
"Y"
] |
2024-11-01 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
4.25163,
0,
0
],
[
0,
4.25163,
0
],
[
0,
0,
4.25163
]
] | -27.9001
|
[
-0.014,
1.326,
0.286,
-0.039
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.93433
| null |
pbe
| true
|
21307d001b74b3a156a492cbdb3a5f52_216_Y2Ge1Mo1
|
[
"Mg",
"Rh",
"Zn"
] | 3
|
ABC
|
MgRhZn
|
Mg1 Zn1 Rh1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.25944915,
-0.0308302,
-0.04365723
],
[
-2.10776304,
3.70151208,
0.04365928
],
[
-2.10888868,
-1.22979065,
3.48968705
]
] |
agm003603875
|
[
[
0.04069213471926803,
2.4421259746971424,
3.1994474970009206
],
[
2.1486326626332706,
1.2064912568942134,
1.4339310572295747
],
[
0.01867597613166847,
-0.010945510582331822,
2.316715814617054
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Mg",
"Zn",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
5.756551,
0.09946328,
0.06508196
],
[
0.09946328,
5.867927,
-0.03815001
],
[
0.06508232,
-0.03815022,
6.064015
]
] | -10.778539
|
[
0,
0,
0
] |
[
[
-0.00037939,
0.00022239,
-0.0008338
],
[
-0.00062216,
0.0003647,
-0.00195502
],
[
0.00100155,
-0.00058709,
0.00278882
]
] | 0
| 1.048898
|
pbe
| true
|
669a58d72de07491090890feb1ffdb68_216_Mg1Zn1Rh1
|
[
"Ge",
"Nd",
"Y"
] | 10
|
A7B2C
|
Ge7Nd2Y
|
Ge7 Nd2 Y1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.008531549,
-13.087142337,
0
],
[
2.008531549,
13.087142337,
0
],
[
0,
0,
4.17560922
]
] |
oqmd-9956470
|
[
[
2.00853,
-7.3443,
0
],
[
2.00853,
-2.389530000000001,
0
],
[
2.00853,
2.389530000000001,
0
],
[
2.00853,
7.3443,
0
],
[
2.00853,
-10.748100000000004,
2.0878000000000005
],
[
2.00853,
3.948597124368541e-16,
2.0878000000000005
],
[
2.00853,
10.7481,
2.0878000000000005
],
[
2.00853,
-4.787870000000001,
2.0878000000000005
],
[
2.00853,
4.787870000000001,
2.0878000000000005
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Nd",
"Nd",
"Y"
] |
2024-11-01 00:00:00
|
[
0.7,
0.2,
0.1
] |
[
[
4.01944629,
0,
0
],
[
0,
5.36769255,
0
],
[
0,
0,
1.11003565
]
] | -53.7782
|
[
0,
0,
0,
0,
0,
-0.001,
0,
0.001,
0.001,
-0.001
] |
[
[
0,
-0.037575,
0
],
[
0,
0.067493,
0
],
[
0,
-0.067493,
0
],
[
0,
0.037575,
0
],
[
0,
-0.050771,
0
],
[
0,
0,
0
],
[
0,
0.050771,
0
],
[
0,
0.108063,
0
],
[
0,
-0.108063,
0
],
[
0,
0,
0
]
] | -0.009338
| null |
pbe
| true
|
40921dd6b21ca8d81a2fa1e064d3b508_65_Nd2Y1Ge7
|
[
"La",
"Se",
"Te",
"Th"
] | 5
|
A2BCD
|
LaSe2TeTh
|
La1 Th1 Te1 Se2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.7335272,
0,
0
],
[
0,
4.7335272,
0
],
[
-2.3667636,
-2.3667636,
7.14088289
]
] |
agm005015312
|
[
[
2.3667635999999996,
2.3667635999999996,
5.276881233922023
],
[
2.3667635933113928e-8,
2.3667635933113928e-8,
1.8779762924848793
],
[
2.3667636,
2.3667636,
0.09453400686863381
],
[
2.3667636,
-6.138481551943187e-17,
3.5161942999495372
],
[
-6.138481551943187e-17,
2.3667636,
3.5161942999495372
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"La",
"Th",
"Te",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
0.5193078,
0,
0
],
[
0,
0.5193078,
0
],
[
0,
0,
0.47514644
]
] | -29.469435
|
[
0.206,
0.328,
-0.018,
-0.001,
-0.001
] |
[
[
0,
0,
0.00403706
],
[
0,
0,
0.00160616
],
[
0,
0,
0.00148513
],
[
0,
0,
-0.00356417
],
[
0,
0,
-0.00356417
]
] | 0.999919
| 1.734486
|
pbe
| true
|
02aac17db138e2c87454c9c398d183dc_107_La1Th1Te1Se2
|
[
"Ge",
"Ni",
"O"
] | 4
|
A2BC
|
GeNi2O
|
Ni2 Ge1 O1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
2.7661739,
2.7661739
],
[
2.7661739,
0,
2.7661739
],
[
2.7661739,
2.7661739,
0
]
] |
agm002717153
|
[
[
1.38308695,
1.38308695,
1.38308695
],
[
4.14926085,
4.14926085,
4.14926085
],
[
2.7661739,
2.7661739,
2.7661739
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Ni",
"Ni",
"Ge",
"O"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
1.2818745,
0,
0
],
[
0,
1.2818745,
0
],
[
0,
0,
1.2818745
]
] | -12.387848
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 0.127805
|
pbe
| true
|
a2c2fdfeebaa36400d3f214e2a4e8fe3_225_Ni2Ge1O1
|
[
"Mg",
"S",
"Te"
] | 4
|
A2BC
|
MgS2Te
|
Mg1 Te1 S2
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.40369475,
3.40369475
],
[
3.40369475,
0,
3.40369475
],
[
3.40369475,
3.40369475,
0
]
] |
agm002700066
|
[
[
1.701847375,
1.701847375,
1.701847375
],
[
5.105542125,
5.105542125,
5.105542125
],
[
3.40369475,
3.40369475,
3.40369475
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"S",
"S",
"Te",
"Mg"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
1.0269666,
0,
0
],
[
0,
1.0269666,
0
],
[
0,
0,
1.0269666
]
] | -12.9714
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0
| 2.784657
|
pbe
| true
|
a33758b2507304e0e70b027b0fdeb691_225_Mg1Te1S2
|
[
"La",
"Tb",
"Te",
"Tl"
] | 12
|
A3BCD
|
LaTbTe3Tl
|
La1 Tb1 Te3 Tl1
| 4
|
[
1,
1,
1
] | 3
|
[
[
2.32826595,
-7.656946705,
0
],
[
2.32826595,
7.656946705,
0
],
[
0,
0,
12.539933714
]
] |
oqmd-7482298
|
[
[
0,
0,
0
],
[
0,
0,
6.269970000000001
],
[
2.3282699999999994,
0.8175699999999997,
3.13498
],
[
2.3282699999999994,
-0.8175699999999997,
9.40495
],
[
2.32827,
2.2249500000000006,
0.54997
],
[
2.32827,
6.584530000000001,
3.13498
],
[
2.32827,
2.2249500000000006,
5.72
],
[
2.32827,
-2.2249500000000006,
6.81994
],
[
2.32827,
-6.584530000000001,
9.40495
],
[
2.32827,
-2.2249500000000006,
11.989960000000002
],
[
2.32827,
-3.8050899999999994,
3.13498
],
[
2.32827,
3.80509,
9.40495
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"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"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
|
[
"La",
"La",
"Tb",
"Tb",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Tl",
"Tl"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] |
[
[
4.47729917,
0,
0
],
[
0,
3.1472698,
0
],
[
0,
0,
3.441066
]
] | -54.9225
|
[
0.004,
0.005,
0.008,
0.008,
0,
-0.001,
0,
0,
-0.001,
0,
0.002,
0.002
] |
[
[
0,
0,
0
],
[
0,
0,
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pbe
| true
|
a7170691378422e92b9ec50ced8d67d3_63_La2Tb2Tl2Te6
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[
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A2BC
|
K2RhY
|
K2 Y1 Rh1
| 3
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[
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1
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[
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agm004403283
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[
"K",
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2023-11-16 06:57:59
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pbe
| true
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5a47c9638d2f842a8cd8ad686ee01663_65_K2Y1Rh1
|
[
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A6B2CD
|
LaTbTm2Y6
|
La2 Tb2 Y12 Tm4
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agm004977828
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2023-11-16 06:57:59
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| true
|
ff84ba7933341125d031fcd659452dbf_15_La2Tb2Y12Tm4
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[
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A3BCD
|
LaTe3TmZn
|
La1 Te3 Tm1 Zn1
| 4
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oqmd-7481046
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2024-11-01 00:00:00
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pbe
| true
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fac7295513b03c708e38ea2ec9180e1f_63_La2Tm2Zn2Te6
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[
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A4B4C3
|
Ge4Ni4Sm3
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Ge4 Ni4 Sm3
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oqmd-5612608
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2024-11-01 00:00:00
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pbe
| true
|
b106c08e3b00d3a1863c97d0d364d9bb_71_Sm3Ni4Ge4
|
[
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A5B2CD
|
Li2LuO5Si
|
Li4 Lu2 O10 Si2
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[
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mp-1189864
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|
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2019-01-11 20:30:59
|
[
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| 1.946728
|
pbe
| true
|
81836325b597d16406da9588751028ad_2_Li4Lu2Si2O10
|
[
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|
A32B30CD
|
LiMg30MnO32
|
Li1 Mg30 Mn1 O32
| 4
|
[
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1
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|
[
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mp-1038038
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2018-05-29 14:57:51
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| 4.853524
|
pbe
| true
|
801d5eacfc09c8166ecc0409ef5ed9de_123_Li1Mg30Mn1O32
|
[
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|
A3BC
|
GeNa3Ru
|
Na3 Ge1 Ru1
| 3
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[
1,
1,
1
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[
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0
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0,
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agm002547297
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|
[
"Ru",
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2023-11-16 06:57:59
|
[
0.2,
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[
1.497,
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[
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0,
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| 4.231939
|
pbe
| true
|
9a68060fce2120de7252a30271c38ab6_221_Na3Ge1Ru1
|
[
"Mg",
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|
A2BC
|
Mg2PTc
|
Mg2 Tc1 P1
| 3
|
[
1,
1,
1
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[
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0
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0,
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agm004433314
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|
[
"Mg",
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2023-11-16 06:57:59
|
[
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[
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0.393
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[
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[
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[
0,
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0,
0,
0
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| 2.660897
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pbe
| true
|
6af0c986b4db2d752884369307292392_47_Mg2Tc1P1
|
[
"Li",
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A4B3CD
|
Li3MgNiO4
|
Li24 Mg8 Ni8 O32
| 4
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[
1,
1,
1
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[
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mp-776409
|
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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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| 8.440155
|
pbe
| true
|
c53dfcf3d4af277241e4ac8f9f3bdfe6_164_Sr3Li2Mg2Pb4
|
[
"Li",
"Mg",
"Pm",
"Si"
] | 5
|
A2BCD
|
LiMgPmSi2
|
Li1 Pm1 Mg1 Si2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.17076577,
0,
0
],
[
0,
4.17076577,
0
],
[
-2.08538289,
-2.08538288,
5.68407061
]
] |
agm005018919
|
[
[
-2.4999999848063226e-9,
2.0853828875000002,
2.842035305
],
[
0,
0,
0
],
[
2.0853828825000003,
2.4999999848063226e-9,
2.842035305
],
[
2.0853828839670654,
2.085382886032934,
1.1742544130195969
],
[
-3.96706557285765e-9,
3.967065578922897e-9,
4.509816196980403
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Li",
"Pm",
"Mg",
"Si",
"Si"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.29598737,
0,
0
],
[
0,
0.29598737,
0
],
[
0,
0,
0.8652165
]
] | -21.368287
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00102287
],
[
0,
0,
0.00102287
]
] | 0.000364
| 2.965072
|
pbe
| true
|
3949a1577fb4ba7cd3f79c7d6faba1d3_119_Li1Pm1Mg1Si2
|
[
"Li",
"Mg",
"Pr",
"Si"
] | 5
|
A2BCD
|
LiMgPrSi2
|
Li1 Pr1 Mg1 Si2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.22922931,
0,
0
],
[
0,
4.22922931,
0
],
[
-2.11461466,
-2.11461466,
5.66208078
]
] |
agm005018917
|
[
[
-2.4999999848063226e-9,
2.1146146525,
2.83104039
],
[
0,
0,
0
],
[
2.1146146525,
-2.4999999848063226e-9,
2.83104039
],
[
2.1146146751029606,
2.1146146751029606,
1.1813201705257457
],
[
-2.51029610524981e-8,
-2.51029610524981e-8,
4.480760609474254
]
] |
[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Li",
"Pr",
"Mg",
"Si",
"Si"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.04907001,
0,
0
],
[
0,
0.04907001,
0
],
[
0,
0,
0.7467926
]
] | -21.410783
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00401864
],
[
0,
0,
0.00401864
]
] | 0.000414
| 2.948343
|
pbe
| true
|
fb7a30624d5782792b8e2a64f6f37329_119_Li1Pr1Mg1Si2
|
[
"Li",
"Mg",
"Pt",
"Sb"
] | 4
|
ABCD
|
LiMgPtSb
|
Li1 Mg1 Pt1 Sb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.00410964,
0,
2.31177422
],
[
1.33470321,
3.77511056,
2.31177422
],
[
0,
0,
4.62354844
]
] |
mp-571584
|
[
[
4.0041096375,
2.83133292,
6.935322660000001
],
[
2.669406425,
1.88755528,
4.62354844
],
[
0,
0,
0
],
[
1.3347032125,
0.94377764,
2.31177422
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
|
[
"Li",
"Mg",
"Sb",
"Pt"
] |
2014-02-16 05:19:52
|
[
0.25,
0.25,
0.25,
0.25
] |
[] | -16.126836
|
[
0,
0,
0,
0
] |
[] | 0
| 7.369599
|
pbe
| true
|
19371facabafccb978bacfbd6e9657d2_216_Li1Mg1Sb1Pt1
|
[
"K",
"Sb",
"Sr"
] | 4
|
A2BC
|
KSbSr2
|
K1 Sr2 Sb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.154905,
0,
0
],
[
3.0774525,
5.33030409,
0
],
[
3.0774525,
1.77676803,
5.02545889
]
] |
agm003954023
|
[
[
6.154905,
3.55353606,
2.512729445
],
[
9.2323575,
5.33030409,
3.7690941675000005
],
[
0,
0,
0
],
[
3.0774525,
1.77676803,
1.2563647225
]
] |
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"K",
"Sb",
"Sr",
"Sr"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
0.5908974,
0,
0
],
[
0,
0.5908974,
0
],
[
0,
0,
0.5908974
]
] | -9.319758
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000034
| 3.32314
|
pbe
| true
|
b534bd1893db885e4e4dd5b2b1cfeb1d_216_K1Sr2Sb1
|
[
"Ge",
"Na",
"Tc"
] | 4
|
A2BC
|
Ge2NaTc
|
Na1 Tc1 Ge2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.11325209,
0,
0
],
[
1.55662605,
2.6961554,
0
],
[
1.55662605,
0.89871847,
8.74381481
]
] |
agm003637884
|
[
[
3.113252095,
1.797436935,
4.371907405
],
[
0,
0,
0
],
[
4.6698765704350045,
2.696154494921661,
6.891819222579809
],
[
1.5566276195649948,
0.8987193750783392,
1.8519955874201917
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]
|
[
"Na",
"Tc",
"Ge",
"Ge"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
3.4267316,
0,
0
],
[
0,
3.4267316,
0
],
[
0,
0,
3.6898966
]
] | -21.080061
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00130204
],
[
0,
0,
-0.00130204
]
] | 0.000007
| 2.699202
|
pbe
| true
|
8a62da2961a7d45280edfb9c0452298e_166_Na1Tc1Ge2
|
[
"Li",
"Mg",
"Th",
"Zn"
] | 5
|
A2BCD
|
LiMgThZn2
|
Li1 Th1 Mg1 Zn2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.11060289,
0,
0
],
[
0,
4.11060289,
0
],
[
-2.05530144,
-2.05530144,
6.25424117
]
] |
agm005022082
|
[
[
2.4999999848063226e-9,
2.0553014475,
3.127120585
],
[
0,
0,
0
],
[
2.0553014475,
2.4999999848063226e-9,
3.127120585
],
[
2.0553014254956903,
2.0553014254956903,
1.311770609609735
],
[
2.4504309721969556e-8,
2.4504309721969556e-8,
4.942470560390265
]
] |
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Li",
"Th",
"Mg",
"Zn",
"Zn"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
1.23545,
0,
0
],
[
0,
1.23545,
0
],
[
0,
0,
1.2072662
]
] | -14.047323
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00035727
],
[
0,
0,
-0.00035727
]
] | 0.000313
| 3.845049
|
pbe
| true
|
435115363beb5fb353a4e04664250fe2_119_Li1Th1Mg1Zn2
|
[
"Nb",
"Pa",
"Pt"
] | 3
|
ABC
|
NbPaPt
|
Pa1 Nb1 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.76102352,
0,
0
],
[
0,
4.50780173,
0
],
[
0,
-2.25390087,
3.90387082
]
] |
agm001260793
|
[
[
0.6280551605063248,
0,
0
],
[
2.5073248048786096,
2.253900885872342,
1.3012902603204304
],
[
0.6256435546150656,
-2.5872342023792882e-8,
2.6025805596795695
]
] |
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Nb",
"Pa",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
4.0913157,
0,
0
],
[
0,
4.6562037,
0
],
[
0,
0,
4.6562037
]
] | -26.064466
|
[
0,
0,
0
] |
[
[
-0.001033,
0,
0
],
[
-0.00031336,
0,
0
],
[
0.00134636,
0,
0
]
] | -0.00025
| 5.178588
|
pbe
| true
|
d02909bc0f19290f4a9cb0cd9600be1b_187_Pa1Nb1Pt1
|
[
"K",
"Sb",
"Ti"
] | 4
|
A2BC
|
KSbTi2
|
K1 Ti2 Sb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.47930815,
3.47930815
],
[
3.47930815,
0,
3.47930815
],
[
3.47930815,
3.47930815,
0
]
] |
agm002689784
|
[
[
3.47930815,
3.47930815,
3.47930815
],
[
0,
0,
0
],
[
1.739654075,
1.739654075,
1.739654075
],
[
5.218962225,
5.218962225,
5.218962225
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Sb",
"K",
"Ti",
"Ti"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
3.3721454,
0,
0
],
[
0,
3.3721454,
0
],
[
0,
0,
3.3721454
]
] | -18.828692
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 2.183278
|
pbe
| true
|
b8c05b1dc7f2dc1e2a857af8be4672f3_225_K1Ti2Sb1
|
[
"Li",
"Mn",
"Na",
"S"
] | 5
|
A2BCD
|
LiMnNaS2
|
Na1 Li1 Mn1 S2
| 4
|
[
1,
1,
1
] | 3
|
[
[
2.03017355,
-3.51636373,
0
],
[
2.03017355,
3.51636373,
0
],
[
0,
0,
6.80528014
]
] |
agm005409573
|
[
[
0,
0,
6.643598048691433
],
[
2.03017355,
1.1721212667757586,
4.398701907129644
],
[
2.03017355,
-1.1721212667757586,
2.602017984366193
],
[
2.03017355,
1.1721212667757586,
1.8059647596599784
],
[
2.03017355,
-1.1721212667757586,
4.965550846819808
]
] |
[{"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": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
|
[
"Na",
"Li",
"Mn",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
1.3740234,
0,
0
],
[
0,
1.3740234,
0
],
[
0,
0,
0.8938956
]
] | -25.578093
|
[
0.006,
0,
4.244,
0.087,
0.07
] |
[
[
0,
0,
0.00245343
],
[
0,
0,
-0.0025419
],
[
0,
0,
0.00315049
],
[
0,
0,
0.00250884
],
[
0,
0,
-0.00557086
]
] | 5
| -0.019163
|
pbe
| true
|
bff1435da47cfbfe42e0f3c5c062abed_156_Na1Li1Mn1S2
|
[
"Cu",
"F"
] | 12
|
AB
|
CuF
|
Cu6 F6
| 2
|
[
1,
1,
1
] | 3
|
[
[
7.68099655,
-0.00150342,
0
],
[
0.00170134,
5.35545479,
0
],
[
0,
0,
17.52333802
]
] |
agm2000039251
|
[
[
1.2873975618020732,
3.3811131331990136,
8.309668349211137
],
[
6.395359983090004,
1.9744474322799515,
8.30881250938224
],
[
2.554332501707441,
0.7017816973325575,
8.309252870866683
],
[
5.128442223280048,
4.65055595189068,
8.310077343920522
],
[
7.6808983954329015,
-0.0009928652510933001,
9.494330987552534
],
[
3.8412615942961654,
2.6764361935482723,
9.493650556337215
],
[
5.184828962706781,
1.3983627997138615,
9.658344875351847
],
[
2.4979702165849624,
3.9547906412017633,
9.660452056748753
],
[
6.338852821311078,
4.076535948304716,
9.66094849291486
],
[
1.3439208894478065,
1.278170097590637,
9.658841136284575
],
[
3.8421068037229253,
5.353174222837659,
7.138038167821974
],
[
7.681735340068805,
2.6777760077931765,
7.137610598374286
]
] |
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
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2023-11-16 06:57:59
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97783fc49aec8cb701d5e0e8a0643fab_32_Cu6F6
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A6B2C2D
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Li2Mn2NiO6
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Li4 Mn4 Ni2 O12
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mp-554979
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2020-04-30 01:02:26
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57b90c22bb7a0341f25ae65d588a7b84_20_Li4Mn4Ni2O12
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A10B4C4D
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Li4MnNi4O10
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Li8 Mn2 Ni8 O20
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mp-758663
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2015-01-06 16:54:26
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| true
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KSbZr
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K1 Zr1 Sb1
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agm004334923
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2023-11-16 06:57:59
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| true
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ABC
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KScSm
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K1 Sc1 Sm1
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oqmd-4263640
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2024-11-01 00:00:00
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| true
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48aea3dccc709e83fd8fa19bd016f6b2_216_K1Sm1Sc1
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A6B2CD
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LiMn2O6Os
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Li2 Mn4 Os2 O12
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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LiMn2O8P2
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Li2 Mn4 O16 P4
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mp-753420
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2014-02-15 23:13:26
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[] | 17.236
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K2 Si1 W1
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2023-11-16 06:57:59
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LiMnO4P
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Li4 Mn4 O16 P4
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mp-26057
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2019-11-05 10:47:38
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|
pbe
| true
|
c03cb070fd8e4eb28dd42679b25bf66b_33_Li4Mn4P4O16
|
[
"Li",
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|
A4BCD
|
LiMnO4P
|
Li4 Mn4 P4 O16
| 4
|
[
1,
1,
1
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|
[
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agm003237389
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2023-11-16 06:57:59
|
[
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| 0
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pbe
| true
|
4769e248aa90c3881c5cc222af6f463e_2_Li4Mn4P4O16
|
[
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] | 28
|
A4BCD
|
LiMnO4P
|
Li4 Mn4 P4 O16
| 4
|
[
1,
1,
1
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[
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agm003237396
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
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2023-11-16 06:57:59
|
[
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[
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| 0
|
pbe
| true
|
2993e77ddf739ce8d87ca9120c1e9235_7_Li4Mn4P4O16
|
[
"Be",
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|
A4BC
|
Be4IrK
|
K1 Be4 Ir1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
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3.34912383
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3.34912383,
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agm005478781
|
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[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"K",
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"Be",
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2023-11-16 06:57:59
|
[
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[
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[
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| 5.629812
|
pbe
| true
|
cf4cfdf513d3a12ccad1f8d7ddbe2a3e_216_K1Be4Ir1
|
[
"Li",
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] | 28
|
A8B3C2D
|
Li3MnO8P2
|
Li6 Mn2 O16 P4
| 4
|
[
1,
1,
1
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|
[
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mp-801735
|
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|
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2014-06-26 03:43:58
|
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[] | -127.868158
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[] | 9.012
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pbe
| true
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3b832f5262b18e2a7437ad6115a93a45_1_Li6Mn2P4O16
|
[
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A9B3CD
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LiMnO9P3
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Li2 Mn2 O18 P6
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mp-755916
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|
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2014-02-24 12:14:49
|
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[] | -200.409837
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[] | 9.577
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pbe
| true
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2d5a5b92213af6975326d46bab5cfe20_2_Li2Mn2P6O18
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A18B6C4D
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Li4MnO18P6
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Li4 Mn1 O18 P6
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mp-754890
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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": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
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2014-02-27 04:03:04
|
[
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[] | -199.964341
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[] | 4.765
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pbe
| true
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f96d4fd76e35a103053ec067ec52d523_1_Li4Mn1P6O18
|
[
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A5BCD
|
LiMnO5P
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Li4 Mn4 O20 P4
| 4
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[
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1
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[
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mp-757028
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|
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2014-05-08 21:29:32
|
[
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[] | -217.930715
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[] | 12.115
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pbe
| true
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0fa11b4ba9dad64ebf839186ed0f43f4_62_Li4Mn4P4O20
|
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|
A5BCD
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LiMnO5P
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Li4 Mn4 P4 O20
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agm003240826
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2023-11-16 06:57:59
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A12B3C2D
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LiMn2O12P3
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2014-05-03 16:55:26
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18b9499da34602ac5e5bf74d5744756c_9_Li2Mn4P6O24
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A12B4CD
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LiMnO12P4
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Li2 Mn2 O24 P8
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2014-05-05 09:31:44
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A12B4C2D
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Li2MnO12P4
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Li4 Mn2 O24 P8
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2016-10-27 19:27:22
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2014-02-22 09:51:10
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A7B2C2D
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2020-06-05 09:21:00
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e420f24e814d08b1d33d144a1cb511ab_2_Li8Mn4P8O32
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A8B3C2D
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Li3MnO8P2
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Li12 Mn4 O32 P8
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mp-760997
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2014-02-14 02:00:28
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Cu5I7
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Cu5 I7
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2024-11-01 00:00:00
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430ce491c3bc79454708dcbc51b142c7_5_Cu5I7
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A12B4CD
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LiMnO12P4
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Li4 Mn4 O48 P16
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mp-694557
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2013-11-23 17:49:46
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A24B7C4D
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LiMn4O24P7
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Li2 Mn8 O48 P14
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2014-05-03 11:00:56
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[] | 30.998
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aa1cf9024d51e0061fedbc63d96c6ef3_2_Li2Mn8P14O48
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[
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A12B3C3D
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LiMn3O12P3
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Li4 Mn12 O48 P12
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mp-768541
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pbe
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346bf8a86c66498f67aca4a7832b0712_1_Li4Mn12P12O48
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[
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A12B3C3D2
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Li3Mn2O12P3
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Li12 Mn8 O48 P12
| 4
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[
1,
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2014-07-05 06:35:29
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2014-03-05 00:38:05
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|
pbe
| true
|
af2e5dc3974b175f5374bc635586a424_1_Li5Mn9P16O56
|
[
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"Mn",
"O",
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] | 112
|
A4BCD
|
LiMnO4P
|
Li16 Mn16 O64 P16
| 4
|
[
1,
1,
1
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|
[
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mp-504178
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2014-03-04 16:18:47
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|
pbe
| true
|
73d3fe335de6a0313f16f5521bebee3e_9_Li16Mn16P16O64
|
[
"Li",
"Mn",
"O",
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] | 168
|
A4BCD
|
LiMnO4P
|
Li24 Mn24 O96 P24
| 4
|
[
1,
1,
1
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|
[
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mp-850005
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"Pm"
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|
ABC
|
HoPbPm
|
Pm1 Ho1 Pb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.15382051,
0,
0
],
[
0,
4.15382051,
0
],
[
-2.07691026,
-2.07691026,
5.11658578
]
] |
agm001843430
|
[
[
2.0769102745677843,
2.0769102745677843,
1.2293297797043283
],
[
1.8033799119135866e-8,
1.8033799119135866e-8,
2.7990827425875575
],
[
2.0769102712057346,
2.0769102712057346,
4.669773019370697
]
] |
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"Pb",
"Ho",
"Pm"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
2.199078,
0,
0
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[
0,
2.199078,
0
],
[
0,
0,
2.2195415
]
] | -13.878004
|
[
-0.001,
0.29,
0.209
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[
[
0,
0,
0.00111296
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[
0,
0,
0.00161339
],
[
0,
0,
-0.00272636
]
] | 0.807403
| 4.075366
|
pbe
| true
|
7c0f2ea50d5e03e5bd78e6ab2fb7597b_107_Pm1Ho1Pb1
|
[
"Be",
"Ir",
"Pt"
] | 4
|
A2BC
|
Be2IrPt
|
Be2 Ir1 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.97803395,
0,
0
],
[
0,
3.97803395,
0
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[
0,
0,
2.83954626
]
] |
agm003187229
|
[
[
0,
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[
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0
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[
1.989016975,
0,
1.41977313
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[
0,
1.989016975,
1.41977313
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[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Be",
"Be",
"Ir",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
-0.6114415,
0,
0
],
[
0,
-0.6114415,
0
],
[
0,
0,
-0.2321943
]
] | -25.201627
|
[
0,
0,
0,
0
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[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001
| 1.05192
|
pbe
| true
|
a381225738abe3d88e52fcd66faeba20_123_Be2Ir1Pt1
|
[
"Cd",
"In",
"Ir"
] | 4
|
A2BC
|
CdIn2Ir
|
Cd1 In2 Ir1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.425260558,
3.425260558
],
[
3.425260558,
0,
3.425260558
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[
3.425260558,
3.425260558,
0
]
] |
oqmd-5611501
|
[
[
3.425260000000003,
3.425260000000003,
3.425260000000003
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[
0,
0,
0
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[
5.137890000000001,
5.137890000000001,
5.137890000000001
],
[
1.712629999999998,
1.712629999999998,
1.712629999999998
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Cd",
"In",
"In",
"Ir"
] |
2024-11-01 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
10.05214372,
0,
0
],
[
0,
10.05214372,
0
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[
0,
0,
10.05214372
]
] | -14.1793
|
[
0,
0,
0,
0.002
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[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.002573
| null |
pbe
| true
|
d9a56416f878c14514ea0c581e0062b7_216_Cd1In2Ir1
|
[
"Ge",
"Na",
"Te"
] | 5
|
A2B2C
|
Ge2NaTe2
|
Na1 Ge2 Te2
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.624146,
0,
0
],
[
0,
5.624146,
0
],
[
2.812073,
2.812073,
4.48989779
]
] |
agm002934412
|
[
[
0,
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0
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[
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[
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[
5.624146,
2.812073,
2.244948895
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[
2.812073,
5.624146,
2.244948895
]
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Na",
"Ge",
"Ge",
"Te",
"Te"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.4
] |
[
[
1.8531487,
0,
0
],
[
0,
1.8531487,
0
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[
0,
0,
3.3201795
]
] | -17.753378
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
-0.00501843
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[
0,
0,
0.00501843
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 1.238927
|
pbe
| true
|
68fa273ddd0b06c5484e8ad74bfd4b37_139_Na1Ge2Te2
|
[
"Li",
"Mn",
"O",
"Sb"
] | 16
|
A4B2CD
|
Li2MnO4Sb
|
Li4 Mn2 Sb2 O8
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.40389579,
0.14468316,
0.06358359
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[
0.14537771,
6.35390024,
0.03179348
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[
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4.56314206
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] |
agm004868598
|
[
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4.427641102972154
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[
1.3816451047595577,
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2.385479491156448
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[
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0.15335772694735458
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[
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4.483165306419088
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[
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2.4871689412299682
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[
0.3670229476887111,
0.2092429434438093,
2.49709464975643
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[
1.8471166044163674,
1.6909371190754576,
0.38185920576216564
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
|
[
"Li",
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"Li",
"Li",
"Mn",
"Mn",
"Sb",
"Sb",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.25,
0.125,
0.5,
0.125
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[
[
0.83855855,
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[
0.17230345,
0.8566545,
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[
0.01235817,
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1.0403122
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[
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4.62,
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0.009,
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0.035,
0.044,
0.043,
0.056,
0.024,
0.024,
0.027,
0.027
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[
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[
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[
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[
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[
-0.00239793,
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0.00028519
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[
0.00039605,
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]
] | 9.998613
| -0.006043
|
pbe
| true
|
883575501fa8d301242c0b1f117c5fed_8_Li4Mn2Sb2O8
|
[
"Ho",
"Pm",
"Tm"
] | 3
|
ABC
|
HoPmTm
|
Pm1 Ho1 Tm1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.48056707,
0,
0
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[
0,
5.6074104,
0
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[
0,
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4.85615986
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] |
agm001276436
|
[
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3.2374399228538664
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2.3208134075976727,
2.8037052280370522,
1.6187199371461338
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[
0.5825252816989035,
0,
0
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] |
[{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
|
[
"Tm",
"Ho",
"Pm"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
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0.3333333333333333
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[
[
1.360965,
0,
0
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[
0,
1.0372618,
0
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[
0,
0,
1.0372618
]
] | -13.580021
|
[
0,
0,
0
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[
[
0.00311746,
0,
0
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[
-0.0007457,
0,
0
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[
-0.00237176,
0,
0
]
] | -0.000155
| 5.312189
|
pbe
| true
|
f24e4193a8be0c0e6c8d50ca8c8e9d3f_156_Pm1Ho1Tm1
|
[
"Ho",
"Y",
"Zr"
] | 3
|
ABC
|
HoYZr
|
Y1 Ho1 Zr1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.40763506,
0,
0
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[
0,
3.40763506,
0
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[
-1.70381753,
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7.3373334
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] |
agm001831669
|
[
[
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[
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2.61417522681894
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[
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4.87374006534924
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Ho",
"Zr"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
[
2.4440644,
0,
0
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[
0,
2.4440644,
0
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[
0,
0,
2.4907506
]
] | -19.352171
|
[
0,
0,
0
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[
[
0,
0,
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[
0,
0,
0.00824454
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[
0,
0,
-0.00624496
]
] | 0
| 4.563168
|
pbe
| true
|
986c66a1a5957ad3352f260683e9034e_107_Y1Ho1Zr1
|
[
"Cd",
"In",
"K"
] | 4
|
A2BC
|
CdInK2
|
K2 Cd1 In1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
4.27291317,
4.27291317
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[
4.27291317,
0,
4.27291317
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[
4.27291317,
4.27291317,
0
]
] |
agm002686970
|
[
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[
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6.409369755
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[
0,
0,
0
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[
4.27291317,
4.27291317,
4.27291317
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] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
|
[
"K",
"K",
"Cd",
"In"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
2.6209457,
0,
0
],
[
0,
2.6209457,
0
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[
0,
0,
2.6209457
]
] | -5.547359
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[
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000416
| 4.969185
|
pbe
| true
|
5d49d62a9d723671af51d51a13224610_225_K2Cd1In1
|
[
"Li",
"Mn",
"O",
"Si"
] | 28
|
A16B5C5D2
|
Li2Mn5O16Si5
|
Li2 Mn5 O16 Si5
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.06622426,
0.05017544,
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[
0.07808005,
10.49444018,
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[
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5.13968271
]
] |
mp-765986
|
[
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6.9814573978880174,
1.8160324291015422
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[
0.0664099563802521,
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3.4832711398130454
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0.9056420337637888
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1.7488100670095532
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[
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[
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2014-02-16 11:17:14
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0ba46f0a0aaa2b65b3becb559b953caf_1_Li2Mn5Si5O16
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A4BCD
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LiMnO4Si
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Li4 Mn4 O16 Si4
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mp-850949
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2014-07-05 06:50:06
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b78c056e9b81035077c7541082f5b959_4_Li4Mn4Si4O16
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A10B3C3D2
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Li2Mn3O10Si3
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mp-767709
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2019-10-23 08:42:44
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8136fe19318fcbab7a1a7816ed7a5902_15_Li4Mn6Si6O20
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A11B4C2D2
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Li2Mn2O11Si4
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Li4 Mn4 O22 Si8
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2014-06-25 23:52:36
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2019-01-11 06:25:22
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A9B3C2D2
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Li2Mn2O9Si3
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2019-10-23 08:54:03
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