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2014-07-05 23:38:30
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2023-11-16 06:57:59
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2014-10-24 19:41:56
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2023-11-16 06:57:59
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A6B2C2D
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Li2NiO6Si2
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Li12 Ni6 O36 Si12
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2019-10-22 20:32:18
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pbe
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5da158a9dbada01c2e31ca6b82f16c46_190_Li4Si24Ni10O60
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[
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A15B6C3D
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Li3NiO15Si6
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Li12 Ni4 O60 Si24
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|
pbe
| true
|
860e67f3f6fe0748f77e21a75c3a6cc6_64_Li12Si24Ni4O60
|
[
"Li",
"Ni",
"O",
"Sn"
] | 22
|
A6B2C2D
|
Li2Ni2O6Sn
|
Li4 Ni4 O12 Sn2
| 4
|
[
1,
1,
1
] | 3
|
[
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mp-774781
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2020-06-04 06:00:36
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[
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| true
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0c9db1b208a985a486c96758112736fd_64_Li4Ni4Sn2O12
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[
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A2BC
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GeMnPd2
|
Mn1 Ge1 Pd2
| 3
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[
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1
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[
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agm001114237
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|
[
"Ge",
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2023-11-16 06:57:59
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| 2.229041
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pbe
| true
|
14761784ec465433a1f7980f9119e393_123_Mn1Ge1Pd2
|
[
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A3BC
|
GeMnTa3
|
Ta3 Mn1 Ge1
| 3
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[
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agm002528285
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|
[
"Ge",
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2023-11-16 06:57:59
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pbe
| true
|
f0ba74763cc4c5f922b10d2564e64265_221_Ta3Mn1Ge1
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[
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A5B2C
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Bi2Cs5K
|
Cs5 K1 Bi2
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[
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agm005875773
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|
[
"Cs",
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2023-11-16 06:57:59
|
[
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pbe
| true
|
1532b930132e20590aa1b3f4aaf0da73_166_Cs5K1Bi2
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[
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A3BC
|
GeScSi3
|
Sc1 Si3 Ge1
| 3
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[
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1
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agm002602877
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|
[
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2023-11-16 06:57:59
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[
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| 4.721688
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pbe
| true
|
2de48c3052c6770deed825238df56a4a_221_Sc1Si3Ge1
|
[
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|
A8B4C
|
Ge8Np4Pd
|
Np4 Ge8 Pd1
| 3
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[
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[
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agm006080847
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2023-11-16 06:57:59
|
[
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pbe
| true
|
6da9ca79b4059e0c3181030f88074b17_25_Np4Ge8Pd1
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[
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A16B5C4D3
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Li4Ni3O16Ti5
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Li4 Ni3 O16 Ti5
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[
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mp-771000
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0795a5c4ec2829fc01cc9a9d71fa16dd_5_Li3V4Ni1O12
|
[
"Li",
"Ni",
"Os",
"P"
] | 5
|
A2BCD
|
LiNiOsP2
|
Li1 Ni1 P2 Os1
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.84556433,
0,
0
],
[
0,
3.84556433,
0
],
[
-1.92278216,
-1.92278216,
4.77596409
]
] |
agm005021485
|
[
[
0,
0,
0
],
[
2.500000095828625e-9,
1.9227821675000003,
2.387982045
],
[
1.922782166175018,
1.922782166175018,
1.1223685635821605
],
[
3.824982413393205e-9,
3.824982413393205e-9,
3.65359552641784
],
[
1.9227821675000003,
2.500000095828625e-9,
2.387982045
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Li",
"Ni",
"P",
"P",
"Os"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
-2.1504078,
0,
0
],
[
0,
-2.1504078,
0
],
[
0,
0,
-2.4705935
]
] | -32.113905
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00202035
],
[
0,
0,
-0.00202035
],
[
0,
0,
0
]
] | -0.000231
| 2.452955
|
pbe
| true
|
1c5efcd798432f5d07340385d7335c26_119_Li1Ni1P2Os1
|
[
"La",
"Ni",
"Tm"
] | 4
|
A2BC
|
LaNi2Tm
|
La1 Tm1 Ni2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.41814692,
0,
0
],
[
0,
3.41814692,
0
],
[
0,
0,
6.91722952
]
] |
agm001135664
|
[
[
0,
0,
5.387181513688205
],
[
0,
0,
1.5300480063117952
],
[
1.70907346,
1.70907346,
0
],
[
1.70907346,
1.70907346,
3.45861476
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"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"]}]
|
[
"Ni",
"Ni",
"Tm",
"La"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
-4.259392,
0,
0
],
[
0,
-4.259392,
0
],
[
0,
0,
-4.486744
]
] | -22.29256
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00263912
],
[
0,
0,
-0.00263912
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000014
| 3.786098
|
pbe
| true
|
417a0566f8adf4f7fbb1269b2b5a65ed_123_La1Tm1Ni2
|
[
"Ge",
"Pa",
"Ru"
] | 12
|
A4BC
|
GePa4Ru
|
Pa8 Ge2 Ru2
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.88579396,
-0.35038976,
0
],
[
-1.55384816,
5.65267151,
0
],
[
-3.1659729,
-2.65114087,
6.12554781
]
] |
agm003743657
|
[
[
6.427949582877975,
1.4004532372960152,
0.7139335773431496
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[
3.846893212660507,
3.726633577342771,
0.7139335773431496
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[
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2.1325445649171426,
4.277123390972432
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[
3.270390527970573,
0.5185963150828572,
1.8484244190275678
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[
0.672507942558129,
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1.8484244190275678
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[
-0.680920312660507,
-1.0754926973427714,
5.41161423265685
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[
2.493464957441871,
3.344937777759619,
4.277123390972432
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[
-3.261976682877975,
1.2506876427039855,
5.41161423265685
],
[
1.1945243783402713,
2.73873828987016,
1.69257235111965
],
[
1.9714485216597282,
-0.08759740987015929,
4.43297545888035
],
[
-2.7483694040271,
2.913935848661088,
3.0875369220657496
],
[
5.914342304027101,
-0.2627949686610878,
3.03801088793425
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
|
[
"Pa",
"Pa",
"Pa",
"Pa",
"Pa",
"Pa",
"Pa",
"Pa",
"Ge",
"Ge",
"Ru",
"Ru"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] |
[
[
1.0720317,
-0.04663546,
0
],
[
-0.04663485,
1.0765109,
0
],
[
0,
0,
0.98538864
]
] | -107.328066
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00005045,
-0.00046001,
-0.00021715
],
[
-0.00005045,
0.00046001,
-0.00021715
],
[
0.00321672,
-0.00318838,
0.00224366
],
[
-0.00321672,
0.00318838,
-0.00224366
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[
0.00321672,
-0.00318838,
-0.00224366
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[
0.00005045,
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0.00021715
],
[
-0.00321672,
0.00318838,
0.00224366
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[
-0.00005045,
0.00046001,
0.00021715
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[
0,
0,
-0.00463809
],
[
0,
0,
0.00463809
],
[
0,
0,
0.00147739
],
[
0,
0,
-0.00147739
]
] | 0.000137
| 23.460423
|
pbe
| true
|
586099c4d18c2e027188e0042e4e7b3b_15_Pa8Ge2Ru2
|
[
"Li",
"Ni",
"Pr",
"Se"
] | 12
|
A3BCD
|
LiNiPrSe3
|
Li1 Ni1 Pr1 Se3
| 4
|
[
1,
1,
1
] | 3
|
[
[
1.974719,
-6.295468,
0
],
[
1.974719,
6.295468,
0
],
[
0,
0,
11.018706
]
] |
oqmd-4575686
|
[
[
1.97472,
-2.862390000000001,
2.754670000000001
],
[
1.97472,
2.862390000000001,
8.264029999999998
],
[
1.9747200000000007,
6.089690000000003,
2.754670000000001
],
[
1.9747200000000007,
-6.089690000000003,
8.264029999999998
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[
1.97472,
-6.8553703494302e-17,
0
],
[
1.97472,
-6.8553703494302e-17,
5.5093499999999995
],
[
1.97472,
4.3886899999999995,
1.0744799999999997
],
[
1.97472,
1.129270000000004,
2.754670000000001
],
[
1.97472,
4.3886899999999995,
4.434849999999999
],
[
1.97472,
-4.3886899999999995,
6.583840000000001
],
[
1.97472,
-1.1292700000000042,
8.264029999999998
],
[
1.97472,
-4.3886899999999995,
9.944209999999996
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Li",
"Li",
"Ni",
"Ni",
"Pr",
"Pr",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.5
] |
[
[
16.85677,
0,
0
],
[
0,
9.40885,
0
],
[
0,
0,
17.57435
]
] | -57.9079
|
[
0.001,
0.001,
0.574,
0.576,
0.021,
0.019,
0.078,
0.08,
0.079,
0.08,
0.08,
0.079
] |
[
[
0,
0.072797,
0
],
[
0,
-0.072797,
0
],
[
0,
-0.028729,
0
],
[
0,
0.028729,
0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
-0.024104,
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[
0,
0.058985,
0
],
[
0,
-0.024104,
0.066294
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[
0,
0.024104,
-0.066294
],
[
0,
-0.058985,
0
],
[
0,
0.024104,
0.066294
]
] | 2.05106
| null |
pbe
| true
|
10f06d3b156c9a1b20b6b714a501ae3e_63_Li2Pr2Ni2Se6
|
[
"Li",
"Ni",
"S",
"Zr"
] | 12
|
A3BCD
|
LiNiS3Zr
|
Li1 Ni1 S3 Zr1
| 4
|
[
1,
1,
1
] | 3
|
[
[
1.767757856,
-6.205648597,
0
],
[
1.767757856,
6.205648597,
0
],
[
0,
0,
9.61230747
]
] |
oqmd-8897380
|
[
[
1.7677600000000002,
3.337330000000001,
2.40308
],
[
1.76776,
-3.33733,
7.20923
],
[
1.7677600000000002,
-0.2335700000000003,
2.40308
],
[
1.7677600000000002,
0.23357000000000025,
7.20923
],
[
1.76776,
-1.72688,
0.71724
],
[
1.7677600000000002,
-5.065790000000001,
2.40308
],
[
1.76776,
-1.72688,
4.08891
],
[
1.76776,
1.7268800000000002,
5.5234
],
[
1.7677600000000002,
5.065790000000001,
7.20923
],
[
1.76776,
1.7268800000000002,
8.895059999999999
],
[
0,
0,
0
],
[
0,
0,
4.80615
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Li",
"Li",
"Ni",
"Ni",
"S",
"S",
"S",
"S",
"S",
"S",
"Zr",
"Zr"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] |
[
[
4.55476425,
0,
0
],
[
0,
2.90180794,
0
],
[
0,
0,
7.27928622
]
] | -70.724
|
[
0.001,
0.001,
0.243,
0.244,
0.021,
0.032,
0.02,
0.02,
0.032,
0.021,
-0.005,
-0.006
] |
[
[
0,
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0
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[
0,
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0
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[
0,
0.000727,
0
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[
0,
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[
0,
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[
0,
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[
0,
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0
],
[
0,
0.029547,
0.021824
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.712385
| null |
pbe
| true
|
f0544abe40c79f7bb331063dd8b9cbaf_63_Li2Zr2Ni2S6
|
[
"Ni",
"Pb",
"Ti"
] | 3
|
ABC
|
NiPbTi
|
Ti1 Ni1 Pb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.28290721,
0,
0
],
[
-2.1414536,
3.70898671,
0.00018839
],
[
0,
2.47277755,
3.49694368
]
] |
agm002191269
|
[
[
2.1414536050000024,
1.2363543538610657,
1.74842095954858
],
[
2.4999978318640438e-9,
2.4727121983490004,
0.8743670076729324
],
[
9.999999954158404e-17,
0.0000099405621587,
0.000013952809051
]
] |
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Pb",
"Ni",
"Ti"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
-3.5180383,
0,
0
],
[
0,
-3.508151,
-0.01975348
],
[
0,
-0.01975376,
-3.4936078
]
] | -18.022158
|
[
0,
0,
0
] |
[
[
0,
0.00013425,
0.00020247
],
[
0,
-0.00014372,
-0.0002168
],
[
0,
0.00000947,
0.00001433
]
] | 0
| 0
|
pbe
| true
|
9f63761b586652833b9de63d35c2ede2_216_Ti1Ni1Pb1
|
[
"Li",
"Ni",
"Se",
"Zr"
] | 12
|
A3BCD
|
LiNiSe3Zr
|
Li1 Ni1 Se3 Zr1
| 4
|
[
1,
1,
1
] | 3
|
[
[
1.826896571,
-6.611015487,
0
],
[
1.826896571,
6.611015487,
0
],
[
0,
0,
9.880203866
]
] |
oqmd-8897399
|
[
[
1.8269,
3.80101,
2.4700499999999996
],
[
1.8268999999999995,
-3.80101,
7.410149999999999
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[
1.8269,
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2.4700499999999996
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[
1.8269,
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[
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[
1.8268999999999995,
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2.4700499999999996
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[
1.8268999999999995,
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4.23522
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[
1.8269,
1.86731,
5.644979999999999
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[
1.8269,
5.34413,
7.410149999999999
],
[
1.8269,
1.86731,
9.17532
],
[
0,
0,
0
],
[
0,
0,
4.940099999999999
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Li",
"Li",
"Ni",
"Ni",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Zr",
"Zr"
] |
2024-11-01 00:00:00
|
[
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] |
[
[
2.03731269,
0,
0
],
[
0,
0.98993823,
0
],
[
0,
0,
5.04336802
]
] | -65.1905
|
[
0,
0,
0.029,
0.031,
0.003,
0.004,
0.002,
0.002,
0.004,
0.002,
-0.001,
-0.001
] |
[
[
0,
0.032894,
0
],
[
0,
-0.032894,
0
],
[
0,
-0.033078,
0
],
[
0,
0.033078,
0
],
[
0,
0.024747,
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[
0,
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0
],
[
0,
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0.025636
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[
0,
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[
0,
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0
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[
0,
-0.024747,
0.025636
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.092404
| null |
pbe
| true
|
bbaedcbdb71ebb915cfe0898150a1369_63_Li2Zr2Ni2Se6
|
[
"La",
"Os",
"Pt"
] | 4
|
A2BC
|
LaOsPt2
|
La1 Os1 Pt2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.37579994,
0,
0
],
[
0,
3.37579994,
0
],
[
0,
0,
6.83212557
]
] |
agm004372918
|
[
[
1.68789997,
1.68789997,
1.7080313925
],
[
1.68789997,
1.68789997,
5.1240941775
],
[
0,
0,
6.453634353578962
],
[
0,
0,
3.7945540014210377
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"La",
"Os",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
6.6647196,
0,
0
],
[
0,
6.6647196,
0
],
[
0,
0,
6.2303395
]
] | -28.486734
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.02224233
],
[
0,
0,
-0.02224233
]
] | -0.000001
| 3.262068
|
pbe
| true
|
dbc06731e799fb76ff58bda225f31e05_123_La1Os1Pt2
|
[
"Li",
"Mo",
"Se"
] | 4
|
A2BC
|
LiMo2Se
|
Li1 Mo2 Se1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.46372784,
0,
0
],
[
0,
4.46372784,
0
],
[
0,
0,
2.9317987
]
] |
agm003954087
|
[
[
0,
2.23186392,
1.46589935
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[
0,
0,
0
],
[
2.23186392,
2.23186392,
0
],
[
2.23186392,
0,
1.46589935
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Li",
"Mo",
"Mo",
"Se"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
2.5448015,
0,
0
],
[
0,
2.5448015,
0
],
[
0,
0,
2.6031992
]
] | -25.212596
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000155
| 3.359212
|
pbe
| true
|
f0fe21c376f4a4e82db94540b4e63601_123_Li1Mo2Se1
|
[
"Li",
"Ni",
"Sr"
] | 4
|
A2BC
|
Li2NiSr
|
Sr1 Li2 Ni1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.208868,
0,
0
],
[
0,
4.20901158,
0
],
[
0,
0,
5.05581448
]
] |
agm004079778
|
[
[
0,
0,
0
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[
2.104434,
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0
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[
2.104434,
0,
2.52790724
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[
0,
2.10450579,
2.52790724
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Li",
"Li",
"Ni",
"Sr"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
-1.8564739,
0,
0
],
[
0,
-1.860097,
0
],
[
0,
0,
-1.5236487
]
] | -10.509921
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000056
| 2.220782
|
pbe
| true
|
1dccdcefcdbe6c7cf4779d054d53b750_123_Sr1Li2Ni1
|
[
"Cd",
"Li",
"Ru"
] | 4
|
A2BC
|
Cd2LiRu
|
Li1 Cd2 Ru1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.07398226,
0.00088565,
0
],
[
1.85658169,
4.7221183,
0
],
[
-3.46528085,
-2.36150121,
2.85664793
]
] |
agm004234930
|
[
[
0,
0,
0
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[
0.9282914075000002,
2.3610595325,
1.428323965
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[
3.465281975,
2.361501975,
0
],
[
2.5369916924999996,
0.0004432075000000424,
1.428323965
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
|
[
"Cd",
"Cd",
"Li",
"Ru"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
6.1589813,
0.35795063,
0.00000221
],
[
0.35795063,
5.877657,
0.00000151
],
[
0.00000221,
0.00000151,
5.6337304
]
] | -12.470967
|
[
-0.004,
-0.011,
-0.002,
0.601
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.616174
| 1.981846
|
pbe
| true
|
1a29a239841e29368a2becafe003cdf6_119_Li1Cd2Ru1
|
[
"Li",
"Os",
"Si"
] | 4
|
A2BC
|
Li2OsSi
|
Li2 Si1 Os1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.50192066,
0,
0
],
[
0,
3.50192066,
0
],
[
0,
0,
4.26769206
]
] |
agm003912352
|
[
[
0,
0,
0
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[
1.75096033,
1.75096033,
0
],
[
1.75096033,
0,
2.13384603
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[
0,
1.75096033,
2.13384603
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Li",
"Li",
"Os",
"Si"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
-1.1342326,
0,
0
],
[
0,
-1.1342326,
0
],
[
0,
0,
8.874968
]
] | -20.560343
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000011
| 2.52428
|
pbe
| true
|
eabd87c724ee256f9e663966fbcee532_123_Li2Si1Os1
|
[
"Pb",
"Pt",
"Se"
] | 10
|
A3BC
|
PbPtSe3
|
Pt2 Pb2 Se6
| 3
|
[
1,
1,
1
] | 3
|
[
[
15.62531274,
0.00001716,
0
],
[
-0.00002764,
3.67296703,
0
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[
0,
0,
18.35238141
]
] |
agm2000100636
|
[
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1.3081851095442028,
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10.69443054114353,
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3.148096262347322,
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13.949324637709845,
1.3116198719509888,
9.176190888523815
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[
12.439507167683463,
3.1472868076624625,
10.852372977367255
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3.1857346797132555,
1.3108015043524257,
7.499999807013483
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[
3.1857346797129793,
1.3108015410820961,
10.852381235938887
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[
12.439507323936867,
3.147286770932964,
7.500008065585118
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[
6.533118653415327,
3.1453722882474104,
9.176190705
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[
9.0921352545586,
1.3088508503860115,
9.176190705
]
] |
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Pt",
"Pt",
"Pb",
"Pb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
] |
[
[
0.6043709,
-0.0000034,
0
],
[
-0.0000034,
0.5407097,
0
],
[
0,
0,
-0.06877952
]
] | -40.439854
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
[
0.00024274,
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0
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0.00038677,
0
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[
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0
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[
0.00004024,
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0
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[
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0.00365651
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[
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[
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[
0.00710073,
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-0.00365651
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[
0.00649279,
-0.0000894,
0
],
[
-0.00649279,
-0.00008942,
0
]
] | 0
| 6.840381
|
pbe
| true
|
747bea4ff04079c90f7f48ffb9b1c82e_51_Pt2Pb2Se6
|
[
"Pb",
"Pu",
"Tl"
] | 10
|
A5B4C
|
Pb5Pu4Tl
|
Pu4 Tl1 Pb5
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.42144421,
0,
3e-8
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[
0,
3.42144421,
1e-8
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[
0.00000206,
0.00000103,
24.5451787
]
] |
agm006051887
|
[
[
4.3280315720000007e-7,
2.1640157860000004e-7,
5.156908172523394
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[
8.328198488000002e-7,
4.164099244000001e-7,
9.923161171700476
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[
3.4214454371801515,
3.421444823590076,
14.622017568299526
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[
3.421445837196843,
3.4214450235984217,
19.388270567476606
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[
0,
0,
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[
1.710722332465921,
1.7107222187329607,
2.710287242866545
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[
1.710722737486023,
1.7107224212430117,
7.536156553877335
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[
1.710723135,
1.71072262,
12.27258937
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[
1.7107235325139771,
1.7107228187569885,
17.009022186122667
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[
1.710723937534079,
1.7107230212670397,
21.83489149713346
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] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
|
[
"Pu",
"Pu",
"Pu",
"Pu",
"Tl",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb"
] |
2023-11-16 06:57:59
|
[
0.5,
0.4,
0.1
] |
[
[
6.6154733,
0,
6.2e-7
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[
0,
6.6154733,
3.1e-7
],
[
6.2e-7,
3.1e-7,
6.8247585
]
] | -79.333183
|
[
-5.59,
5.6,
5.6,
-5.59,
0.026,
0.027,
0.002,
-0.066,
0.002,
0.027
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[
[
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[
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[
0,
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[
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[
0,
0,
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[
0,
0,
-0.02573697
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[
0,
0,
-0.00463336
]
] | 0.101977
| 29.977325
|
pbe
| true
|
98c685c0ffcc0f1148445afb8ca89f60_123_Pu4Tl1Pb5
|
[
"Pb",
"Pu",
"Tm"
] | 3
|
ABC
|
PbPuTm
|
Pb1 Pu1 Tm1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.630638,
3.630638
],
[
3.630638,
0,
3.630638
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[
3.630638,
3.630638,
0
]
] |
oqmd-3369847
|
[
[
1.8153199999999992,
1.8153199999999992,
1.8153199999999992
],
[
5.445959999999999,
5.445959999999999,
5.445959999999999
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[
0,
0,
0
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] |
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
|
[
"Pb",
"Pu",
"Tm"
] |
2024-11-01 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
3.89431,
0,
0
],
[
0,
3.89431,
0
],
[
0,
0,
3.89431
]
] | -21.6423
|
[
0,
0,
0
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[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.89681
| null |
pbe
| true
|
9bc01d3b3941aab567270324566e8998_216_Tm1Pu1Pb1
|
[
"Pd",
"Sm",
"Th"
] | 16
|
A12B3C
|
Pd12Sm3Th
|
Sm3 Th1 Pd12
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.18513528,
0,
0
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[
0,
4.18513428,
0
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[
0,
0,
16.70589162
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] |
agm005917905
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[
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[
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2.09256714,
6.263225206088479
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[
0,
2.09256714,
10.44266641391152
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[
0,
2.09256714,
14.632878244179807
]
] |
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"Sm",
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"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.75,
0.1875,
0.0625
] |
[
[
4.0323696,
0,
0
],
[
0,
4.0323677,
0
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[
0,
0,
4.1404853
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] | -97.763229
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[
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0,
0,
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[
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[
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[
0,
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[
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[
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[
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[
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[
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[
0,
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[
0,
0,
0.00228
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[
0,
0,
-0.00228
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[
0,
0,
0.00544809
]
] | 0.000011
| 6.675886
|
pbe
| true
|
0db3d301a3649ef1920d1f4dbc33509e_123_Sm3Th1Pd12
|
[
"Cd",
"Li",
"Y"
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|
ABC
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CdLiY
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Li1 Y1 Cd1
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agm003159232
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2023-11-16 06:57:59
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A14B4C2D
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LiO14P4Ru2
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Li1 P4 Ru2 O14
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2023-11-16 06:57:59
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b551e2e48d8e87c0e615404d8e786c7f_2_Li1P4Ru2O14
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A12B4CD
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LiO12P4Sb
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Li2 O24 P8 Sb2
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mp-684082
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2013-10-15 15:35:08
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ab8871d3abdf6ade331539aab26f32b9_12_Li2Sb2P8O24
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A12B3C3D2
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Li3O12P3Sb2
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Li6 O24 P6 Sb4
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mp-774523
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2014-02-20 04:58:50
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7d665ae91cb0d541714a05564b201e98_5_Li6Sb4P6O24
|
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A14B5C4D
|
Li5O14P4Sb
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Li10 O28 P8 Sb2
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2023-11-16 06:57:59
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pbe
| true
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ae3f7218b0aeb05b4436cb64be8bdc17_15_Li4Sn2P4O14
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A18B6C3D
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Li3O18P6Sn
|
Li3 O18 P6 Sn1
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mp-673096
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2013-10-16 10:27:01
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[
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[] | 0.86
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pbe
| true
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d41aba8aa6e4248b82c64c4e8980c123_1_Li3Sn1P6O18
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[
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A4BCD
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LiO4PSn
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Li4 O16 P4 Sn4
| 4
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mp-26299
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2014-02-23 05:10:30
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pbe
| true
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6a015816d88518a7bf3ecaa104f8f73d_14_Li4Sn4P4O16
|
[
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A2BC
|
Cd2PtZn
|
Zn1 Cd2 Pt1
| 3
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[
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[
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agm004372890
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[
"Cd",
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2023-11-16 06:57:59
|
[
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[
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| 1.954897
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pbe
| true
|
1a188e536a2912406f0481cafeca0a53_166_Zn1Cd2Pt1
|
[
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|
A2BC
|
Cd2ReTc
|
Cd2 Re1 Tc1
| 3
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[
1,
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1
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[
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agm004359016
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[
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2023-11-16 06:57:59
|
[
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| 3.901414
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pbe
| true
|
a092b51442b8aa59a3830a6c7d52f1be_123_Cd2Re1Tc1
|
[
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|
A12B4CD
|
LiO12P4Sn
|
Li2 O24 P8 Sn2
| 4
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[
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[
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mp-765286
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2014-02-15 11:46:28
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A14B4C3D2
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2014-05-30 09:38:22
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2014-05-06 04:42:53
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2014-05-05 14:53:07
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2014-02-20 05:38:30
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2014-05-08 01:31:36
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2014-05-30 17:27:54
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2014-05-06 02:53:26
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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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0.00115319,
-0.000194
],
[
-0.00117862,
0.00174376,
-0.00096992
],
[
0.00056608,
0.00030949,
-0.00065319
],
[
0.00260556,
0.00155756,
-0.000194
],
[
-0.00046325,
-0.00193264,
-0.00101699
],
[
0.00069016,
-0.00198834,
-0.00096992
],
[
0.00058693,
0.00026786,
-0.00065319
],
[
0.00182498,
-0.00078685,
0.00101699
],
[
-0.00182498,
0.00078685,
-0.00101699
],
[
-0.00058693,
-0.00026786,
0.00065319
],
[
-0.00069016,
0.00198834,
0.00096992
],
[
0.00046325,
0.00193264,
0.00101699
],
[
-0.00260556,
-0.00155756,
0.000194
],
[
-0.00056608,
-0.00030949,
0.00065319
],
[
0.00117862,
-0.00174376,
0.00096992
],
[
-0.00280804,
-0.00115319,
0.000194
],
[
-0.0016371,
0.00005151,
0.00020131
],
[
-0.00093949,
-0.00134169,
0.00020131
]
] | 3.999999
| 0
|
pbe
| true
|
4c30d01804dd6b1397958784f0fad617_15_Li4V2P6O20
|
[
"Cd",
"Si",
"Y"
] | 4
|
A2BC
|
CdSi2Y
|
Y1 Cd1 Si2
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.74916639,
-0.00211145,
-0.00467622
],
[
2.89900861,
4.96474247,
0.00467622
],
[
-4.14510148,
-2.79322552,
2.84059245
]
] |
agm003888753
|
[
[
1.5013122005835,
2.3047911683198685,
1.422634335
],
[
4.129095299569999,
1.9548034692235277,
2.84059245
],
[
3.2194139178019996,
-0.010488850629259083,
1.417958115
],
[
4.4804131220445,
2.571020723085863,
-7.222380040401433e-20
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Cd",
"Si",
"Si",
"Y"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
2.2666407,
-0.02495911,
0.02100456
],
[
-0.02495911,
2.2958133,
-0.03660247
],
[
0.02100456,
-0.03660247,
2.2993128
]
] | -19.134609
|
[
0,
0,
0,
0
] |
[
[
0.00202753,
0.00116347,
0
],
[
-0.00632952,
-0.0036321,
0
],
[
0.00250899,
0.00143975,
0
],
[
0.001793,
0.00102889,
0
]
] | 0
| 1.07892
|
pbe
| true
|
3d4a4363962c633147a912f97cdda602_44_Y1Cd1Si2
|
[
"Cd",
"Sm",
"Tl"
] | 4
|
A2BC
|
Cd2SmTl
|
Sm1 Tl1 Cd2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.92578589,
0,
0
],
[
0,
3.92578589,
0
],
[
0,
0,
6.96893624
]
] |
agm001125634
|
[
[
1.962892945,
1.962892945,
0
],
[
1.962892945,
1.962892945,
3.48446812
],
[
0,
0,
5.256899347310906
],
[
0,
0,
1.7120368926890934
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"Tl",
"Sm",
"Cd",
"Cd"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
4.942342,
0,
0
],
[
0,
4.942342,
0
],
[
0,
0,
5.086776
]
] | -9.578919
|
[
0.002,
0.165,
0.006,
0.006
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.01547584
],
[
0,
0,
0.01547584
]
] | 0.36425
| 2.553393
|
pbe
| true
|
9d0220816e066e1b02bbe38926ea5851_123_Sm1Tl1Cd2
|
[
"Cd",
"Ta",
"Tc"
] | 4
|
A2BC
|
Cd2TaTc
|
Ta1 Cd2 Tc1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.47301032,
0,
0
],
[
0,
4.30918792,
0
],
[
0,
0,
4.81729284
]
] |
agm004084623
|
[
[
0,
0,
0
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[
1.73650516,
2.15459396,
0
],
[
1.73650516,
0,
2.40864642
],
[
0,
2.15459396,
2.40864642
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"Ta",
"Tc"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
6.1757684,
0,
0
],
[
0,
6.2082195,
0
],
[
0,
0,
5.7180815
]
] | -22.870606
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000056
| 2.013413
|
pbe
| true
|
e326723ad4d0e249dbc4cb323a125e22_47_Ta1Cd2Tc1
|
[
"Cd",
"Ta",
"Te"
] | 3
|
ABC
|
CdTaTe
|
Ta1 Cd1 Te1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.84568361,
0,
0
],
[
2.42284181,
4.19648511,
0
],
[
2.42284181,
1.39882837,
3.9564841
]
] |
agm004061584
|
[
[
2.4228418074999998,
1.39882837,
0.989121025
],
[
4.8456836149999996,
2.79765674,
1.97824205
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Cd",
"Te",
"Ta"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
2.411323,
0,
0
],
[
0,
2.411323,
0
],
[
0,
0,
2.411323
]
] | -12.093416
|
[
0.042,
-0.039,
1.405
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.044525
| 3.246589
|
pbe
| true
|
983eab0096a6dbace107c06b7c0fa651_216_Ta1Cd1Te1
|
[
"Cd",
"Ta",
"W"
] | 4
|
A2BC
|
CdTa2W
|
Ta2 Cd1 W1
| 3
|
[
1,
1,
1
] | 3
|
[
[
10.33523954,
-0.00601847,
-0.00352053
],
[
9.93312278,
2.85487028,
-0.00352053
],
[
9.93312278,
1.39616583,
2.49018427
]
] |
agm004196240
|
[
[
7.500042614184807,
1.054180385254175,
0.6166478181605597
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[
15.065273925898557,
2.117523471283584,
1.238655401614176
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[
0.037687527211737,
0.0052972301624268,
0.0030986399174627003
],
[
22.699223582704896,
3.1905253732998142,
1.8663129553078015
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Cd",
"W",
"Ta",
"Ta"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
4.225186,
0.02207631,
0.01291364
],
[
0.02207631,
4.071225,
0.0018151
],
[
0.01291364,
0.0018151,
4.069184
]
] | -35.954484
|
[
0,
0,
0,
0
] |
[
[
0.00105708,
0.00014858,
0.00008691
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[
-0.0035849,
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-0.00029475
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[
-0.00049291,
-0.00006928,
-0.00004053
],
[
0.00302073,
0.00042458,
0.00024836
]
] | 0.000005
| 3.018114
|
pbe
| true
|
7c69c7b47d324b65082695fe9ed1db61_160_Ta2Cd1W1
|
[
"Bi",
"Cs",
"Zn"
] | 11
|
A5B4C2
|
Bi4Cs5Zn2
|
Cs5 Zn2 Bi4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.76382815,
0,
0
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[
0,
9.71921281,
-3.57511869
],
[
-2.38191407,
-6.98659723,
14.39899042
]
] |
agm003363097
|
[
[
1.6708026089727218e-9,
5.919903080856798,
1.775218243553596
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[
2.3819140783291974,
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9.048653486446405
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[
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0.11939645824106235,
3.9188766798075667
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[
2.381914075,
0,
0
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[
2.381914102144112,
2.6132191217589376,
6.904995050192434
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[
2.3819116937496383,
3.4445223523059623,
0.3031822271046926
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[
0.000002386250361905054,
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10.520689502895308
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[
2.381916482476496,
3.060406596156989,
2.9985248575008487
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[
-0.0000023819102333998107,
6.333587598218205,
-2.320660623835856
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[
-0.000002402476496065709,
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7.825346872499152
],
[
2.3819164619102335,
-3.6009720182182057,
13.144532353835856
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Zn",
"Zn",
"Bi",
"Bi",
"Bi",
"Bi"
] |
2023-11-16 06:57:59
|
[
0.36363636363636365,
0.45454545454545453,
0.18181818181818182
] |
[
[
0.2809353,
0,
0
],
[
0,
0.2542303,
-0.12731847
],
[
0,
-0.12731849,
0.32792374
]
] | -24.473191
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
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0.00232881
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[
0,
0.00179281,
-0.00232881
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[
0,
0.00203723,
-0.0001247
],
[
0,
0,
0
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[
0,
-0.00203723,
0.0001247
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[
0,
0.0000011,
0.00196772
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[
0,
-0.0000011,
-0.00196772
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[
0,
-0.00038159,
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],
[
0,
-0.00052126,
0.00406517
],
[
0,
0.00038159,
0.00279816
],
[
0,
0.00052126,
-0.00406517
]
] | -0.000005
| 3.416148
|
pbe
| true
|
2adc5aade43d17330dd56db3387b8f44_12_Cs5Zn2Bi4
|
[
"Bi",
"Cu",
"Sr"
] | 5
|
A3BC
|
BiCuSr3
|
Sr3 Cu1 Bi1
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.35649133,
0,
0
],
[
0,
6.35649133,
0
],
[
0,
0,
6.35649133
]
] |
agm002464795
|
[
[
0,
3.178245665,
0
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[
0,
0,
3.178245665
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[
3.178245665,
0,
0
],
[
0,
0,
0
],
[
3.178245665,
3.178245665,
3.178245665
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Sr",
"Sr",
"Bi",
"Cu"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
] |
[
[
-0.46895742,
0,
0
],
[
0,
-0.46895742,
0
],
[
0,
0,
-0.46895742
]
] | -12.623545
|
[
-0.001,
0,
0.001,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000417
| 3.978273
|
pbe
| true
|
262fea9f471541411293df02d1d2977f_221_Sr3Cu1Bi1
|
[
"Cd",
"Tc",
"Zn"
] | 4
|
A2BC
|
CdTc2Zn
|
Zn1 Cd1 Tc2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.55176423,
0,
0
],
[
0,
2.69112818,
0.00076269
],
[
0,
1.15124989,
5.17478096
]
] |
agm004130773
|
[
[
2.275882115,
2.8817835525000004,
3.8816577375
],
[
0,
0.027205130155768704,
0.0863058683195603
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[
0,
1.8939839048442313,
2.5014659566804394
],
[
2.275882115,
0.9605945175000001,
1.2938859125
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Cd",
"Tc",
"Tc",
"Zn"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
5.936774,
0,
0
],
[
0,
5.9852867,
0.13503838
],
[
0,
0.13503821,
5.8502464
]
] | -21.43149
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0.0036086,
-0.0021991
],
[
0,
-0.0036086,
0.0021991
],
[
0,
0,
0
]
] | -0.000001
| 3.89241
|
pbe
| true
|
8e1d3f9ae4fabf0c4f88fe67553c2a53_10_Zn1Cd1Tc2
|
[
"Pm",
"Sm",
"Tm"
] | 11
|
A5B3C3
|
Pm5Sm3Tm3
|
Pm5 Sm3 Tm3
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.54115416,
0,
0
],
[
0,
9.74395317,
0
],
[
0,
-4.87197659,
8.43851098
]
] |
agm003375514
|
[
[
2.77057708,
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5.625674014795037
],
[
2.77057708,
4.871976632053099,
2.8128369652049634
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[
2.77057708,
1.3124204565248014,
2.2731789143290895
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[
2.77057708,
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6.16533206567091
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[
2.77057708,
7.119112254256581,
0
],
[
0,
2.1325463393109043,
3.6936786136262327
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[
0,
5.478860487001021,
0
],
[
0,
-2.7394302463119264,
4.7448323663737675
],
[
2.77057708,
3.077960848784072,
5.331184580217032
],
[
2.77057708,
-1.794015734898244,
3.107326399782968
],
[
2.77057708,
3.5880314661141717,
0
]
] |
[{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"Pm",
"Pm",
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2023-11-16 06:57:59
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mp-758385
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2014-02-13 19:04:42
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Li2 O26 P8 W2
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2014-05-30 18:08:51
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Li8 O24 P4 W4
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2014-02-13 18:18:50
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2014-02-13 18:37:01
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ABC
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TaTeZn
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Ta1 Te1 Zn1
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oqmd-4821326
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2024-11-01 00:00:00
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