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A5B4C
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In5Mg4Na
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Na1 Mg4 In5
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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ABC
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2023-11-16 06:57:59
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c724b66f5938d4b6e2e0c375067a2d5e_6_Na3In3Te3
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A6BC
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InNb6W
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Nb6 In1 W1
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2023-11-16 06:57:59
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[
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[
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A2B2C
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In2NiSc2
|
Sc4 In4 Ni2
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[
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agm005506630
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2023-11-16 06:57:59
|
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pbe
| true
|
5d63798c86713bef46c1626a4ca6ac30_127_Sc4In4Ni2
|
[
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] | 8
|
A2BC
|
InNiSi2
|
In2 Si4 Ni2
| 3
|
[
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1
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[
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[
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2023-11-16 06:57:59
|
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pbe
| true
|
3ae2d5d16351054d061c77dc93080457_122_In2Si4Ni2
|
[
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A2B2C
|
In2Ni2Th
|
Th1 In2 Ni2
| 3
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[
1,
1,
1
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[
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3.75579679,
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2023-11-16 06:57:59
|
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pbe
| true
|
0ae7dbfaa12cde84f2eca5f1661d8e79_12_Th1In2Ni2
|
[
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A6BC
|
InNi6Zn
|
Zn1 In1 Ni6
| 3
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[
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1
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agm003771975
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2023-11-16 06:57:59
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[
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2c95c2d639d1e40d12e845834cbf2c3c_187_Zn1In1Ni6
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A2BC
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InO2Os
|
In2 Os2 O4
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agm002871409
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2023-11-16 06:57:59
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pbe
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cf509aa2b8211e977ea2082207ed5efc_122_In2Os2O4
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A4B2C
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In4PdPt2
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In4 Pd1 Pt2
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agm002307719
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2023-11-16 06:57:59
|
[
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5a18d1b257a7f17baf0fe470649fa4ff_12_In4Pd1Pt2
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[
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A4B3C
|
In3Pd4Tb
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Tb2 In6 Pd8
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2023-11-16 06:57:59
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[
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pbe
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dad8f845e7a7206cd3fbbcab9d23d3fe_51_Tb2In6Pd8
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[
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A2BC
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In2PdTi
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Ti2 In4 Pd2
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2023-11-16 06:57:59
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pbe
| true
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0546455bee968abc8d6467772c9253a3_122_Ti2In4Pd2
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A12B5C3
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In12Pm3Sn5
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Pm12 In48 Sn20
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agm001166142
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2023-11-16 06:57:59
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| 25.956623
|
pbe
| true
|
b6ff4f43ddb4e6cd4082d0be08376b13_230_Pm12In48Sn20
|
[
"In",
"Pt",
"Tc"
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|
A2BC
|
InPtTc2
|
In1 Tc2 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.77094981,
0,
0
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[
0,
4.77094981,
0
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[
0,
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2.86429864
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agm004216039
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|
[
"In",
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2023-11-16 06:57:59
|
[
0.25,
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0.5
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[
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| 6.055066
|
pbe
| true
|
68492e51cdc486512ffbb0f2f5017ab0_123_In1Tc2Pt1
|
[
"In",
"Pt",
"W"
] | 4
|
A2BC
|
InPt2W
|
In1 Pt2 W1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.95284154,
0,
0
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[
0,
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0
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[
0,
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agm004412141
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|
[
"In",
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"Pt",
"W"
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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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| 2.33861
|
pbe
| true
|
23de8b7ec36cca714c1e3cb75c9a24f7_47_In1Pt2W1
|
[
"In",
"Sb",
"Te"
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|
A5B4C
|
In4SbTe5
|
In4 Sb1 Te5
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.24859642,
0,
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[
0,
8.4789808,
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agm003658493
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|
[
"In",
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2023-11-16 06:57:59
|
[
0.4,
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[
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[
0,
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[
0,
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| 4.502292
|
pbe
| true
|
237d3c2e636c20a2b2ae9c3dddf38974_12_In4Sb1Te5
|
[
"Ir",
"Li",
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|
A7B3C2
|
Ir7Li2Tb3
|
Li2 Tb3 Ir7
| 3
|
[
1,
1,
1
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|
[
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agm005620266
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Li",
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"Tb",
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"Ir",
"Ir",
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"Ir"
] |
2023-11-16 06:57:59
|
[
0.5833333333333334,
0.16666666666666666,
0.25
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[
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[
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[
0.12913044,
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[
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[
0.00253255,
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0.00181348
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[
-0.00001439,
-0.00348236,
0.00004596
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] | -0.000012
| 10.539743
|
pbe
| true
|
624bda9c6668e2a9ac464b990d6a159b_166_Li2Tb3Ir7
|
[
"Ir",
"Mo",
"Os"
] | 3
|
ABC
|
IrMoOs
|
Mo1 Ir1 Os1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.22029771,
0,
0
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[
2.11014886,
3.65488503,
0
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[
2.11014886,
1.21829501,
3.44585865
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agm004148460
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[
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2.43659002,
1.722929325
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[
6.3304465725,
3.6548850300000004,
2.5843939875
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[{"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"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Ir",
"Mo",
"Os"
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2023-11-16 06:57:59
|
[
0.3333333333333333,
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0.3333333333333333
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[
[
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0,
0
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[
0,
9.95822,
0
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[
0,
0,
9.95822
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] | -29.299594
|
[
0,
0,
0
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[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000033
| 2.279644
|
pbe
| true
|
8b3ceb71eb228ce3d450511f1578e29c_216_Mo1Ir1Os1
|
[
"Ir",
"Ni",
"P"
] | 4
|
A2BC
|
IrNiP2
|
Ni1 P2 Ir1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
2.94769178,
2.94769178
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[
2.94769178,
0,
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[
2.94769178,
2.94769178,
0
]
] |
agm002724350
|
[
[
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0
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[
2.94769178,
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[
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1.47384589,
1.47384589
],
[
4.42153767,
4.42153767,
4.42153767
]
] |
[{"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": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Ni",
"Ir",
"P",
"P"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
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0,
0
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[
0,
-6.572059,
0
],
[
0,
0,
-6.572059
]
] | -25.429589
|
[
0,
0,
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0
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[
[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 3.935014
|
pbe
| true
|
98663797e057b7ffbed46042f424dc5f_225_Ni1P2Ir1
|
[
"Ir",
"Ni",
"Tb"
] | 14
|
A3B3C
|
IrNi3Tb3
|
Tb6 Ni6 Ir2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.27495021,
0,
0
],
[
-2.1374751,
4.85800615,
2e-8
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[
0,
-9.5e-7,
12.78374149
]
] |
agm005985655
|
[
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[
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4.178205164529791,
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5.2674954293083065
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[
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[
2.137475105,
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6.391870745
]
] |
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"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"]}]
|
[
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ir",
"Ir"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
] |
[
[
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0
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[
0,
-3.9824016,
2.9e-7
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[
0,
2.9e-7,
-4.1137567
]
] | -87.280464
|
[
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
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[
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0.00319078,
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[
0,
0.00138559,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 10.57563
|
pbe
| true
|
92fc3428c7fac608614926e79c9161e9_63_Tb6Ni6Ir2
|
[
"Ir",
"Ni",
"Th"
] | 12
|
A7B3C2
|
Ir7Ni2Th3
|
Th3 Ni2 Ir7
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.122589,
0,
1.60334746
],
[
2.31037421,
4.57198916,
1.60334745
],
[
-0.04038317,
-0.02483954,
9.113866
]
] |
agm005617776
|
[
[
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0,
0
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2.1517082759174673
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10.168852634082533
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3.6962900199999997,
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6.160280455
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4.324164845959875
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4.218756738349028,
4.324164840908322
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[
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3.5142253306989133
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[
1.700986292094431,
2.6379575745271944,
7.996396064040124
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[
4.2886894288438,
2.6379575745271944,
8.806335579301086
],
[
3.121591582367761,
0.3283928816509718,
7.996396069091677
]
] |
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"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"]}]
|
[
"Th",
"Th",
"Th",
"Ni",
"Ni",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir"
] |
2023-11-16 06:57:59
|
[
0.5833333333333334,
0.16666666666666666,
0.25
] |
[
[
-1.1897147,
-0.00243644,
0.01265551
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[
-0.00243644,
-1.1872519,
0.00778436
],
[
0.01265551,
0.00778436,
-1.2261877
]
] | -104.106766
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
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0
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[
0.00073832,
0.00045414,
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[
-0.00073832,
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[
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[
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[
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[
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[
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[
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0.00170856,
-0.00302317
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[
0.00277772,
0.00170856,
-0.00175216
],
[
0.00094624,
-0.00191574,
-0.00302317
]
] | 0.000028
| 7.924418
|
pbe
| true
|
ec339eb94c58f456f1883b320211a56f_166_Th3Ni2Ir7
|
[
"Ir",
"O",
"Y"
] | 5
|
A3BC
|
IrOY3
|
Y3 Ir1 O1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.34751392,
0,
0
],
[
0,
5.34751392,
0
],
[
0,
0,
5.34751392
]
] |
agm002562336
|
[
[
0,
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0
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[
0,
0,
2.67375696
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[
2.67375696,
0,
0
],
[
0,
0,
0
],
[
2.67375696,
2.67375696,
2.67375696
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"Y",
"Ir",
"O"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
] |
[
[
0.8302948,
0,
0
],
[
0,
0.8302948,
0
],
[
0,
0,
0.8302948
]
] | -33.781559
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 4.810808
|
pbe
| true
|
e8ea4ad290a804f9474578263f12bb80_221_Y3Ir1O1
|
[
"Ir",
"P",
"Yb"
] | 4
|
A2BC
|
Ir2PYb
|
Yb1 P1 Ir2
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.63212974,
-0.13108597,
-0.08251184
],
[
4.20736776,
3.74648322,
-0.08250835
],
[
4.20736944,
1.54594408,
3.41364731
]
] |
agm002378553
|
[
[
10.535112652438155,
3.870993387583688,
2.436461695352399
],
[
6.354980589894855,
2.335060023389579,
1.46971973474004
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[
0.6684070487859876,
0.2455961560569042,
0.1545832922840498
],
[
3.5117003802980453,
1.2903301593794074,
0.8121531822755694
]
] |
[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Yb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Yb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"Ir",
"Ir",
"Yb"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
1.7600223,
-0.09400218,
-0.05831102
],
[
-0.09400233,
1.9796388,
-0.0227242
],
[
-0.05831116,
-0.022724,
2.0004976
]
] | -26.42662
|
[
0,
0,
0,
0
] |
[
[
0.00003674,
0.00001329,
0.00000862
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[
-0.00100402,
-0.00043167,
-0.00022699
],
[
0.00102019,
0.00043732,
0.00023085
],
[
-0.00005291,
-0.00001893,
-0.00001248
]
] | 0
| 3.910013
|
pbe
| true
|
e099e2d93b0423144d70186b53984939_166_Yb1P1Ir2
|
[
"Ir",
"Re",
"Rh"
] | 4
|
A2BC
|
IrRe2Rh
|
Re2 Ir1 Rh1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.39149266,
0.00000373,
0.0000023
],
[
0.00000232,
2.73198723,
-0.00055576
],
[
0.00000253,
0.00116106,
4.83894953
]
] |
agm003188234
|
[
[
4.391491215135265,
0.34257313010731916,
4.661186900510606
],
[
2.1957519180069087,
0.34186155947063684,
1.3977426698154758
],
[
2.1957480635541224,
1.7084567165811806,
3.817635778630114
],
[
0.0000039283037283999996,
1.7079995488524744,
2.2199794844332987
]
] |
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Re",
"Re",
"Ir",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
10.798557,
-0.00139603,
0.00200906
],
[
-0.00139574,
10.526078,
-0.05169204
],
[
0.00200861,
-0.05169172,
10.233218
]
] | -42.033102
|
[
0,
0,
0,
0
] |
[
[
0.00018419,
-0.00014181,
-0.0023202
],
[
-0.00018122,
-0.00076553,
0.00403754
],
[
-0.00002673,
-0.00092579,
-0.00191431
],
[
0.00002377,
0.00183313,
0.00019698
]
] | 0.000044
| 2.304275
|
pbe
| true
|
d86637e3648130ab94e20ae131646638_25_Re2Ir1Rh1
|
[
"Ir",
"Rh",
"Tl"
] | 3
|
ABC
|
IrRhTl
|
Tl1 Ir1 Rh1
| 3
|
[
1,
1,
1
] | 3
|
[
[
-1.47614332,
1.47614332,
5.86350563
],
[
1.47614332,
-1.47614332,
5.86350563
],
[
1.47614332,
1.47614332,
-5.86350563
]
] |
agm004336880
|
[
[
-6.064659855877608e-18,
6.064659855877608e-18,
3.895975356543773
],
[
2.279253686499061e-19,
-2.279253686499061e-19,
0.13332439101494
],
[
1.8393646247614015e-17,
-1.8393646247614015e-17,
7.697711512441286
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Tl",
"Ir",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
9.086918,
0,
0
],
[
0,
9.086918,
0
],
[
0,
0,
8.5463085
]
] | -17.443604
|
[
0,
0,
0.001
] |
[
[
0,
0,
0.0011468
],
[
0,
0,
-0.00414814
],
[
0,
0,
0.00300134
]
] | 0.000959
| 3.940458
|
pbe
| true
|
3c3a871ac12e2b96734de0d93cb30126_107_Tl1Ir1Rh1
|
[
"Ir",
"Ru",
"Se"
] | 4
|
A2BC
|
IrRu2Se
|
Ir1 Ru2 Se1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.77378928,
-0.00385622,
0
],
[
-1.38459171,
2.4035032,
0
],
[
0,
0,
9.14684598
]
] |
agm004350859
|
[
[
0.6945987849999999,
1.19982349,
6.860134485
],
[
0,
0,
9.145022373316968
],
[
0,
0,
4.575246596683033
],
[
0.6945987849999999,
1.19982349,
2.286711495
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Ir",
"Ru",
"Ru",
"Se"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
6.484914,
0.32110596,
0
],
[
0.32110596,
6.8536863,
0
],
[
0,
0,
6.1173506
]
] | -28.461853
|
[
0.101,
0.321,
0.321,
0.013
] |
[
[
0,
0,
0
],
[
0,
0,
0.02348622
],
[
0,
0,
-0.02348622
],
[
0,
0,
0
]
] | 0.790083
| 6.495449
|
pbe
| true
|
4dc2d6b049dadda7343c60ef65bf3e01_65_Ir1Ru2Se1
|
[
"Ir",
"Ru",
"Tc"
] | 18
|
A6B2C
|
IrRu2Tc6
|
Tc12 Ir2 Ru4
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.76900847,
0.04246828,
0.63683925
],
[
2.62161417,
5.78541505,
2.851082
],
[
0.06795518,
0.04246723,
6.7985604
]
] |
agm005727791
|
[
[
4.204535177150439,
3.2420986372166625,
6.26873008061333
],
[
4.874628917290418,
5.520959182939622,
6.997476496282797
],
[
5.25404264284956,
2.628251922783338,
4.017751569386671
],
[
4.583948902709581,
0.349391377060378,
3.289005153717203
],
[
6.788224561156109,
0.8963863817800836,
5.16634726934107
],
[
3.567814826588735,
2.081256999237473,
1.6640565271757202
],
[
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[
2.56160719300211,
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[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
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"Tc",
"Tc",
"Tc",
"Tc",
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"Ru",
"Ru",
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] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
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0.6666666666666666
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[
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| 16.93495
|
pbe
| true
|
b2ce0e65eb38a53b02961cf6c89a2f21_15_Tc12Ir2Ru4
|
[
"Ir",
"Sn",
"Y"
] | 5
|
A3BC
|
IrSn3Y
|
Y1 Sn3 Ir1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.6014587,
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agm002323849
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|
[
"Y",
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"Sn",
"Sn",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.2,
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0.2
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[
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[
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| 2.049456
|
pbe
| true
|
0b27824425dfc4f64a282f4b7b7f781a_1_Y1Sn3Ir1
|
[
"Ir",
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|
A2BC
|
Ir2TbTm
|
Tb2 Tm2 Ir4
| 3
|
[
1,
1,
1
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|
[
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3.30474563,
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agm005612370
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|
[
"Tb",
"Tb",
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"Tm",
"Ir",
"Ir",
"Ir",
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2023-11-16 06:57:59
|
[
0.5,
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[
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[
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[
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| 4.143861
|
pbe
| true
|
00651b7c0cc6b9593ebeaa2dd7fc6c08_51_Tb2Tm2Ir4
|
[
"K",
"Mn",
"Mo"
] | 4
|
A2BC
|
K2MnMo
|
K2 Mn1 Mo1
| 3
|
[
1,
1,
1
] | 3
|
[
[
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agm003782820
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
|
[
"K",
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"Mn",
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2023-11-16 06:57:59
|
[
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[
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[
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| 3.016288
|
pbe
| true
|
09dd9bc4dc58811fd3277083e091ef8f_44_K2Mn1Mo1
|
[
"K",
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|
A12B7C
|
KNa7Rb12
|
K1 Rb12 Na7
| 3
|
[
1,
1,
1
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|
[
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12.17061355,
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agm005777722
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2023-11-16 06:57:59
|
[
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[
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pbe
| true
|
37491a4d77308e9676c4a3f2f8cb0737_148_K1Rb12Na7
|
[
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|
A10B2C
|
K2Na10Rb
|
K4 Rb2 Na20
| 3
|
[
1,
1,
1
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[
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agm005741964
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[
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2023-11-16 06:57:59
|
[
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pbe
| true
|
65bff4b201fc3269356cd540ea0d0ff4_63_K4Rb2Na20
|
[
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A4BC
|
KNdTl4
|
K1 Nd1 Tl4
| 3
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[
1,
1,
1
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[
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agm001177294
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"Tl",
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2023-11-16 06:57:59
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pbe
| true
|
5bd7ba8b350e20db0eb88232d19fbc43_216_K1Nd1Tl4
|
[
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A4B2C
|
KNi2O4
|
K2 Ni4 O8
| 3
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[
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[
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agm003462159
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2023-11-16 06:57:59
|
[
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pbe
| true
|
a6f4f1bbd9dacaff7f1fb10e58271c5d_141_K2Ni4O8
|
[
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A2BC
|
KNi2Pb
|
K2 Ni4 Pb2
| 3
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[
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1
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[
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agm002843299
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[
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2023-11-16 06:57:59
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[
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| 6.904187
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pbe
| true
|
3f0cda60c850d952ae968b1468711741_122_K2Ni4Pb2
|
[
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A4B3C
|
K3NpS4
|
K3 Np1 S4
| 3
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[
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[
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oqmd-9422456
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[
"K",
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2024-11-01 00:00:00
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pbe
| true
|
a78fcb98dc9b7966790de3a10646d047_65_K3Np1S4
|
[
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A2BC
|
K2PY
|
K2 Y1 P1
| 3
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[
1,
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[
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agm004293516
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[
"K",
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2023-11-16 06:57:59
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[
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pbe
| true
|
6668bed3cf190f6a6aaef1a4e114854c_99_K2Y1P1
|
[
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A8B5C3
|
K5Pa3Se8
|
K5 Pa3 Se8
| 3
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[
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[
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agm005712441
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2023-11-16 06:57:59
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[
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[
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pbe
| true
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aa5869d3654f9d3cc00142b3f3ab8f06_166_K5Pa3Se8
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[
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A3BC
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KPtRe3
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K1 Re3 Pt1
| 3
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[
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[
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agm002504000
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] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Re",
"Re",
"Re",
"K",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
] |
[
[
7.4405584,
0,
0
],
[
0,
7.4405584,
0
],
[
0,
0,
7.4405584
]
] | -32.406389
|
[
0.876,
0.863,
0.691,
0.01,
0.028
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.870185
| 8.761722
|
pbe
| true
|
a0677adece9325c47ba9ccd0d21b0da3_221_K1Re3Pt1
|
[
"K",
"Pt",
"Ru"
] | 8
|
A2BC
|
KPt2Ru
|
K2 Ru2 Pt4
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.79102112,
0,
0
],
[
0,
7.79102112,
0
],
[
3.89551056,
3.89551056,
3.58758942
]
] |
agm002843581
|
[
[
0,
0,
0
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7.79102112,
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1.79379471
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[
3.89551056,
3.89551056,
0
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3.89551056,
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1.79379471
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[
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1.94775528,
0.896897355
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1.0634391674645376,
5.843265839999999,
0.896897355
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5.84326584,
4.958949727464537,
2.690692065
],
[
9.7387764,
10.623092512535463,
2.690692065
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Ru",
"Ru",
"K",
"K",
"Pt",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
4.793818,
0,
0
],
[
0,
4.793818,
0
],
[
0,
0,
4.349904
]
] | -38.98835
|
[
0,
0,
0,
0,
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0,
0,
0
] |
[
[
0,
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[
0,
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[
0,
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0
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[
0,
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0.0132758,
0,
0
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[
0,
0.0132758,
0
],
[
0,
-0.0132758,
0
]
] | 0
| 13.192497
|
pbe
| true
|
d840f7e8a288e460eb27878e98e4fb04_122_K2Ru2Pt4
|
[
"K",
"Ru",
"Si"
] | 4
|
A2BC
|
KRuSi2
|
K1 Si2 Ru1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.29013577,
0,
0
],
[
0,
4.05944306,
0
],
[
0,
0,
4.05944306
]
] |
agm003950001
|
[
[
2.145067885,
2.02972153,
0
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[
2.145067885,
0,
2.02972153
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[
0,
0,
0
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[
0,
2.02972153,
2.02972153
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"K",
"Ru",
"Si",
"Si"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
3.05221,
0,
0
],
[
0,
2.4235563,
0
],
[
0,
0,
2.4235563
]
] | -17.178458
|
[
0,
-0.005,
0,
0
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[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.004782
| 3.868485
|
pbe
| true
|
5296c87390f93203f1a92531492b0ce9_123_K1Si2Ru1
|
[
"K",
"Ta",
"Zn"
] | 6
|
ABC
|
KTaZn
|
K2 Ta2 Zn2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.4391462,
-2.56294225,
0
],
[
0,
5.12588451,
0
],
[
0,
0,
5.66697124
]
] |
agm003088314
|
[
[
1.4797153852028457,
2.5629422822960892,
4.25022843
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[
2.959430814797154,
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1.41674281
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[
0,
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2.83348562
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[
1.4797153852028457,
2.5629422822960892,
1.41674281
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[
2.959430814797154,
-2.2296089260170106e-8,
4.25022843
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Zn",
"Zn",
"K",
"K",
"Ta",
"Ta"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
1.2378987,
0,
0
],
[
0,
1.2378987,
0
],
[
0,
0,
3.5178828
]
] | -20.542941
|
[
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 2.713469
|
pbe
| true
|
24b71544defe75c5f6c9496b039cc6bb_194_K2Ta2Zn2
|
[
"K",
"Te",
"Zn"
] | 22
|
A6B4C
|
K6Te4Zn
|
K12 Zn2 Te8
| 3
|
[
1,
1,
1
] | 3
|
[
[
8.40171682,
0,
0
],
[
0,
9.51921567,
-5.49592116
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[
0,
0.00000101,
10.99184332
]
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agm006045493
|
[
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6.692911802526222,
5.4959219565881785
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3.778843366783792,
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8.544191649878707
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7.979701776783792,
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3.0482594595012107
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8.106063408572737,
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5.341580002840441,
9.071780268671358,
4.7649827963545133e-7
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[
5.341580002840441,
4.983316304552747,
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5.341580002840441,
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7.764348467150543,
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5.792866391070498,
5.49592746019387
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[
7.164132506079125,
1.86317068138376,
3.227105655555949
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[
7.164132506079125,
1.8631710983300713,
7.764737860171341
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[
2.9632740960791253,
3.7263502889295017,
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[
2.9632740960791253,
7.656045998616239,
2.2688165044440503
],
[
2.9632740960791253,
7.656045581669928,
-2.268815700171341
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Zn",
"Zn",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] |
2023-11-16 06:57:59
|
[
0.5454545454545454,
0.36363636363636365,
0.09090909090909091
] |
[
[
0.6142798,
0,
0
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[
0,
0.81312335,
1.2e-7
],
[
0,
1.2e-7,
0.8131232
]
] | -62.130985
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[
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0,
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0,
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0,
0,
0,
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0,
0,
0,
0
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[
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0.00075885,
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0
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0.00075885,
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0.00167596
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[
0.00075885,
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0
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[
0.00021946,
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0.00326448
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[
0.00021946,
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0
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[
0.00021946,
0.00188475,
0.00326448
],
[
0.00021946,
0.00188475,
-0.00326448
]
] | -0.000006
| 0
|
pbe
| true
|
fb96723398bb7750225c37011633eb6b_186_K12Zn2Te8
|
[
"La",
"Lu",
"Pb"
] | 4
|
A2BC
|
LaLu2Pb
|
La1 Lu2 Pb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.82038901,
0,
0
],
[
0,
4.93152064,
0
],
[
0,
0,
4.93152064
]
] |
agm001210625
|
[
[
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0,
0
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[
0,
0,
2.46576032
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[
0,
2.46576032,
0
],
[
2.410194505,
2.46576032,
2.46576032
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Pb",
"Lu",
"Lu",
"La"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
2.1691868,
0,
0
],
[
0,
2.1225424,
0
],
[
0,
0,
2.1225424
]
] | -18.696809
|
[
0.002,
-0.034,
-0.034,
-0.018
] |
[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.130808
| 6.329555
|
pbe
| true
|
968f9069ad41e16270293d8e34d537c6_123_La1Lu2Pb1
|
[
"La",
"Nb",
"Pb"
] | 5
|
A3BC
|
La3NbPb
|
La3 Nb1 Pb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.98342419,
0,
0
],
[
0,
5.98342419,
0
],
[
0,
0,
5.98342419
]
] |
agm002551522
|
[
[
0,
0,
0
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[
2.991712095,
2.991712095,
2.991712095
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[
0,
2.991712095,
0
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[
0,
0,
2.991712095
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[
2.991712095,
0,
0
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] |
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
|
[
"Pb",
"Nb",
"La",
"La",
"La"
] |
2023-11-16 06:57:59
|
[
0.6,
0.2,
0.2
] |
[
[
3.0882468,
0,
0
],
[
0,
3.0882468,
0
],
[
0,
0,
3.0882468
]
] | -23.164044
|
[
0.042,
-0.328,
0.068,
0.064,
0.061
] |
[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.155293
| 24.844482
|
pbe
| true
|
b564ce095e67fdbbd9364caaafed6b0b_221_La3Nb1Pb1
|
[
"La",
"Nd",
"Pm"
] | 10
|
A7B2C
|
La2NdPm7
|
La2 Pm7 Nd1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.54559274,
0,
0
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[
0,
14.30890889,
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[
0,
-10.74488573,
10.6015765
]
] |
agm003509523
|
[
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[
1.77279637,
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1.77279637,
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1.77279637,
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[
1.77279637,
3.357692202887074,
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[
1.77279637,
0.20633095711292407,
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[
1.77279637,
1.7820115799999998,
2.897637855
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"La",
"La",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Nd"
] |
2023-11-16 06:57:59
|
[
0.2,
0.1,
0.7
] |
[
[
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0,
0
],
[
0,
3.1428745,
-1.1146083
],
[
0,
-1.1146083,
2.0159626
]
] | -46.411949
|
[
0,
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0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
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0.02579688
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[
0,
0.04194671,
-0.02579688
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[
0,
-0.01940569,
0.01193434
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[
0,
0.01940569,
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[
0,
0.01432355,
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[
0,
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0.00144636
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[
0,
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0.0121305
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[
0,
0.00775294,
-0.0121305
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000004
| 17.34738
|
pbe
| true
|
1a0863c5704fe1eefd4105213195b12b_65_La2Pm7Nd1
|
[
"La",
"Ni",
"Si"
] | 19
|
A12B6C
|
La12Ni6Si
|
La12 Si1 Ni6
| 3
|
[
1,
1,
1
] | 3
|
[
[
8.27671923,
0,
-2.92626176
],
[
-4.13835962,
7.16784953,
-2.92626176
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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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La10 Ru2 Pb4
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2023-11-16 06:57:59
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La12Pb3Y
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2023-11-16 06:57:59
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A4B4C3
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La4Pr3Y4
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2023-11-16 06:57:59
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A12B7C2
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La2Rh12Si7
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2023-11-16 06:57:59
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La6Rh3Zn
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2023-11-16 06:57:59
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422c662d0fa95f9910913aafb45382b7_11_La12Zn2Rh6
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A2B2C
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La2SeTe2
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La4 Te4 Se2
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|
[
"Te",
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2023-11-16 06:57:59
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pbe
| true
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20bbae70660f0d35fe5d6bd75c24a914_127_La4Te4Se2
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[
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A4B2C
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LaSe4Tb2
|
La4 Tb8 Se16
| 3
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agm005918984
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2023-11-16 06:57:59
|
[
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| 11.266953
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pbe
| true
|
34dd32c3c2bae2fe7b068b6bf27d4ddb_62_La4Tb8Se16
|
[
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|
A2BC
|
La2SrTm
|
Sr1 La2 Tm1
| 3
|
[
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1
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[
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agm001156672
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[
"Sr",
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2023-11-16 06:57:59
|
[
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[
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| 4.359036
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pbe
| true
|
521c1e88017821a29f453f2fd97d6041_123_Sr1La2Tm1
|
[
"La",
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|
A2BC
|
LaSrTm2
|
Sr1 La1 Tm2
| 3
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[
1,
1,
1
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[
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agm005126461
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|
[
"Sr",
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2023-11-16 06:57:59
|
[
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0.5
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| 6.054606
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pbe
| true
|
cebcfbbe1edbf8989ef631598cb5d5cf_160_Sr1La1Tm2
|
[
"La",
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|
A2BC
|
La2TeY
|
La2 Y1 Te1
| 3
|
[
1,
1,
1
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|
[
[
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agm003895787
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
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[
"La",
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2023-11-16 06:57:59
|
[
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[
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[
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[
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| 5.684073
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pbe
| true
|
f525a8aa2d247dcc3958d79078680a4d_216_La2Y1Te1
|
[
"La",
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|
A12B6C
|
LaTh6Tm12
|
La1 Tm12 Th6
| 3
|
[
1,
1,
1
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|
[
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agm006102410
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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[
0.00441285,
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]
] | 0.000005
| 12.754682
|
pbe
| true
|
29d21ab4ecd1dfb7542cba1d481058bd_64_Li4Rh6O16
|
[
"Li",
"O",
"V"
] | 20
|
A3BC
|
LiO3V
|
Li4 V4 O12
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.97573208,
0,
0.07872615
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[
0,
5.35781928,
0
],
[
-0.27404167,
0,
9.82698899
]
] |
agm003707287
|
[
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4.920535034153796,
3.7126819569739418,
3.249343685195764
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3.9060422508462036,
1.0337723169739417,
1.782240034804236
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6.656371454804237
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3.730664512979791,
1.745279019491138
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0.8171564332183167,
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3.5764735068232985,
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7.596064561770367
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0.7256283018232984,
4.657979103987845,
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2.125216903176702,
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4.58423197714512,
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5.073030146577282
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[
3.96830363785488,
1.5476549087616407,
9.78554256342272
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[
1.1174584328548798,
1.1312547312383592,
4.832684993422719
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[
1.7333867721451202,
3.8101643712383595,
0.1201725765772813
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Li",
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"V",
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.2,
0.6,
0.2
] |
[
[
0.9955236,
0,
0.25723365
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[
0,
1.0433831,
0
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[
0.25723374,
0,
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[
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[
-0.00053404,
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-0.00155546
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[
0.00053404,
-0.00099632,
0.00155546
]
] | 0
| 0
|
pbe
| true
|
bc81c8b6f6b9f0f04f41ba95c73541e3_14_Li4V4O12
|
[
"Li",
"Pm",
"Sn"
] | 14
|
A3B2C2
|
Li2Pm2Sn3
|
Li4 Pm4 Sn6
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.54260719,
0,
-1.08300874
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[
0,
7.35921892,
0
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[
0.04290379,
0,
10.2482951
]
] |
agm005553856
|
[
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1.4083852369119942,
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1.9971463971288321,
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8.376889193049116
],
[
2.588364582871168,
0.3945367781404716,
0.7883971669508846
]
] |
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"Li",
"Li",
"Li",
"Li",
"Pm",
"Pm",
"Pm",
"Pm",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.2857142857142857,
0.2857142857142857,
0.42857142857142855
] |
[
[
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0,
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[
0,
2.3438787,
0
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[
0.0041267,
0,
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] | -59.626132
|
[
0,
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0,
0,
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0,
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0,
0,
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[
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[
0.00012391,
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0.00051974
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[
-0.00012391,
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-0.00051974
]
] | 0
| 2.649081
|
pbe
| true
|
213d4737c0857bb89cf06b00fd3ec1d4_63_Li4Pm4Sn6
|
[
"Li",
"Pr",
"Tl"
] | 5
|
A3BC
|
LiPrTl3
|
Li1 Pr1 Tl3
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.09667788,
0,
0
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[
0,
5.09667788,
0
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[
0,
0,
5.09667788
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] |
agm001106802
|
[
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0,
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
|
[
"Pr",
"Tl",
"Tl",
"Tl",
"Li"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
] |
[
[
4.047663,
0,
0
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[
0,
4.047663,
0
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[
0,
0,
4.047663
]
] | -14.389327
|
[
0,
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0,
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0
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[
[
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000001
| 3.991767
|
pbe
| true
|
cf6439abb817a54031af0f20f4bf23b0_221_Li1Pr1Tl3
|
[
"Li",
"Pt",
"Y"
] | 4
|
A2BC
|
LiPt2Y
|
Li1 Y1 Pt2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.69207364,
0.00001277,
0.00000903
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[
2.34604788,
4.06347413,
0
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[
2.34604788,
1.35449138,
3.83108015
]
] |
agm002159300
|
[
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2.3460431945712648,
1.3544940823865521,
0.9577719502052245
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[
4.692096276126773,
5.417965184924241,
3.8310799201367263
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4.692084746920737,
2.708989140000128,
1.9155445900000903
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[
7.038135026506386,
4.06347910476188,
2.873313628604899
]
] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Pt",
"Pt",
"Li"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
3.8772016,
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[
-0.04940767,
3.8201504,
0.0201706
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[
-0.0349365,
0.0201706,
3.8058877
]
] | -24.024774
|
[
0,
0,
0,
0
] |
[
[
0.00000668,
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[
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[
0.00047501,
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[
-0.0000164,
0.00000947,
0.0000067
]
] | 0
| 0.687203
|
pbe
| true
|
ba5265ee6141db46602f24400413d177_225_Li1Y1Pt2
|
[
"Li",
"Rh",
"Se"
] | 4
|
A2BC
|
Li2RhSe
|
Li2 Rh1 Se1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.41517011,
0,
0
],
[
0,
3.41517011,
0
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[
0,
0,
4.98593518
]
] |
agm004283088
|
[
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[
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1.707585055,
1.246483795
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[
1.707585055,
1.707585055,
3.739451385
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Li",
"Li",
"Rh",
"Se"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
3.508094,
0,
0
],
[
0,
3.508094,
0
],
[
0,
0,
4.5183797
]
] | -16.502974
|
[
0,
0,
0.022,
0.001
] |
[
[
0,
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[
0,
0,
0.00524066
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0.024682
| 3.332679
|
pbe
| true
|
1a6f3b2601cdd4dd093d601ebedfc8cf_123_Li2Rh1Se1
|
[
"Li",
"S",
"Si"
] | 8
|
A2BC
|
Li2SSi
|
Li4 Si2 S2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.90568031,
0.00000881,
-0.00017638
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[
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3.3888148,
0.00028885
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[
-0.09691642,
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10.28388855
]
] |
agm002090762
|
[
[
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2.6299765390353387,
1.6363283632284285
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[
3.048007347513916,
0.3695792212911844,
3.5019600910224042
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1.0942976546392449,
1.5001005660319628,
5.309879351042622
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[
1.0961278791047975,
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6.995041081247133
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[
2.956127507611094,
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9.466433341880673
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[
1.003944189314373,
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10.28038391983838
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[
1.0968115186719762,
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2.483064101105024
],
[
-0.8594032290393843,
0.36953406921641613,
5.894447424812522
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Li",
"Li",
"Li",
"Li",
"Si",
"Si",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
-0.41770086,
0.01795881,
0.03991407
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[
0.0179589,
-0.5711589,
-0.04989728
],
[
0.03991402,
-0.04989728,
-0.15589418
]
] | -33.225178
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00210539,
0.00395842,
0.00448393
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[
0.00000122,
0.00167777,
0.00392304
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[
0.00115436,
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[
0.00110442,
0.0000394,
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[
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[
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[
-0.00281064,
-0.00082999,
0.00079912
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[
0.00083312,
-0.0014525,
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]
] | 0.000004
| -0.0012
|
pbe
| true
|
7a158c5c539ccb25b6cb8e1b8db5c566_1_Li4Si2S2
|
[
"Li",
"Se",
"V"
] | 5
|
A3BC
|
LiSe3V
|
Li1 V1 Se3
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.97191613,
0,
2.9846766
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[
-1.98595807,
3.43978027,
2.9846766
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[
-1.98595807,
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2.9846766
]
] |
agm003097020
|
[
[
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7.387833064420022e-17,
4.888788972209586
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[
1.0551461097571548,
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[
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3.9788363504134376
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[
1.055146109757155,
1.8275666775214965,
3.9788363504134376
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[
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9.299257149187667e-17,
8.917537651550099
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"V",
"Se",
"Se",
"Se",
"Li"
] |
2023-11-16 06:57:59
|
[
0.2,
0.6,
0.2
] |
[
[
0.67348456,
0,
0
],
[
0,
0.67348456,
0
],
[
0,
0,
0.8360944
]
] | -23.779311
|
[
0.509,
-0.079,
-0.079,
-0.079,
0.001
] |
[
[
0,
0,
0.00194209
],
[
0.00063892,
-0.00110665,
-0.00047685
],
[
-0.00127785,
0,
-0.00047685
],
[
0.00063892,
0.00110665,
-0.00047685
],
[
0,
0,
-0.00051155
]
] | 0.217229
| 1.926127
|
pbe
| true
|
b47328fdf5c4a052f785f77f292b8ada_160_Li1V1Se3
|
[
"Lu",
"Mg",
"N"
] | 8
|
A2BC
|
LuMgN2
|
Lu2 Mg2 N4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.60634941,
-0.0001381,
0.00017677
],
[
-0.00013808,
4.60635366,
0.00017885
],
[
-2.30299334,
-2.30299312,
4.66844711
]
] |
agm002223148
|
[
[
0.00005628541543180661,
0.0001842854325118362,
4.668572678640055
],
[
0.000057462557950640205,
2.3031751958855775,
2.3343742471504716
],
[
-0.000031761485357000016,
4.606262728661837,
0.00023057891346620003
],
[
2.3031478130719516,
0.00009022222698651588,
2.3344468784124985
],
[
0.000032483225213540925,
0.000015894564789112587,
2.2920320830712795
],
[
2.3032254433454242,
2.303209399775843,
2.3767543083849834
],
[
2.3032131281793515,
-0.00008505433349320064,
0.042446259437797
],
[
2.3033231615602183,
0.00002787051994766128,
4.626353891466925
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Mg",
"Mg",
"Lu",
"Lu",
"N",
"N",
"N",
"N"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
8.623827,
0.45125043,
-0.0330339
],
[
0.45125028,
8.588429,
-0.03280216
],
[
-0.03303415,
-0.03280188,
-1.1952666
]
] | -53.375821
|
[
-0.004,
-0.004,
0.014,
0.014,
0.264,
0.264,
0.264,
0.264
] |
[
[
0.00046498,
-0.00043458,
-0.0000386
],
[
-0.0003868,
0.0004301,
0.00034954
],
[
-0.00182725,
0.00186292,
0.00135868
],
[
0.00193239,
-0.00194751,
-0.00238302
],
[
0.0001382,
0.00086064,
0.02826698
],
[
-0.00088093,
-0.00016424,
-0.02537602
],
[
-0.00034676,
-0.00091606,
-0.02891758
],
[
0.00090617,
0.00030873,
0.02674001
]
] | 1.497302
| 5.467409
|
pbe
| true
|
34d30b97576b1202a1277ad7b9a1f165_141_Lu2Mg2N4
|
[
"Lu",
"P",
"Rh"
] | 6
|
ABC
|
LuPRh
|
Lu2 P2 Rh2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.00664365,
0,
0
],
[
-2.00332182,
3.46985518,
0
],
[
0,
0,
7.7437981
]
] |
agm002350115
|
[
[
-1.6699884991451522e-8,
2.3132367982328508,
1.935949525
],
[
2.003321846699885,
1.1566183817671494,
5.807848575
],
[
0,
0,
3.87189905
],
[
0,
0,
0
],
[
2.003321846699885,
1.1566183817671494,
1.935949525
],
[
-1.6699884991451522e-8,
2.3132367982328508,
5.807848575
]
] |
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"P",
"Lu",
"Lu",
"Rh",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
2.625181,
0,
0
],
[
0,
2.625181,
0
],
[
0,
0,
2.0850754
]
] | -41.763324
|
[
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000402
| 3.000157
|
pbe
| true
|
0915dbb24fc3445876d7ec4b6104c00f_194_Lu2P2Rh2
|
[
"Lu",
"Pt",
"U"
] | 6
|
A4BC
|
LuPt4U
|
Lu1 U1 Pt4
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.41263014,
0,
0
],
[
2.70631507,
4.6874752,
0
],
[
2.70631507,
1.56249173,
4.419394
]
] |
agm001179001
|
[
[
0,
0,
0
],
[
2.70631507,
1.5624917324999998,
1.1048485
],
[
5.41263284631507,
3.1249819037613675,
0.54831257840422
],
[
5.41263284631507,
1.5586146892612127,
2.7634903340672596
],
[
6.769146645012281,
3.908165508505244,
2.7634903340672596
],
[
4.056119047617859,
3.908165508505244,
2.7634903340672596
]
] |
[{"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Lu",
"U",
"Pt",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] |
[
[
6.886392,
0,
0
],
[
0,
6.886392,
0
],
[
0,
0,
6.886392
]
] | -45.137484
|
[
-0.141,
-2.229,
0.062,
0.062,
0.062,
0.062
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00414961
],
[
0,
0.00391229,
-0.0013832
],
[
-0.00338814,
-0.00195615,
-0.0013832
],
[
0.00338814,
-0.00195615,
-0.0013832
]
] | -2.33474
| 8.898132
|
pbe
| true
|
5799f16887bf57916f4fce4ce8f6df1e_216_Lu1U1Pt4
|
[
"Mg",
"Mo",
"Rb"
] | 5
|
A3BC
|
MgMoRb3
|
Rb3 Mg1 Mo1
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.08447786,
0,
0
],
[
0,
7.08447786,
0
],
[
0,
0,
7.08447786
]
] |
agm002522159
|
[
[
3.54223893,
3.54223893,
3.54223893
],
[
0,
0,
0
],
[
0,
3.54223893,
0
],
[
0,
0,
3.54223893
],
[
3.54223893,
0,
0
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
|
[
"Mo",
"Mg",
"Rb",
"Rb",
"Rb"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.6
] |
[
[
0.35561487,
0,
0
],
[
0,
0.35561487,
0
],
[
0,
0,
0.35561487
]
] | -8.850072
|
[
4.024,
0.001,
0,
0.002,
0.003
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.36283
| 4.884919
|
pbe
| true
|
4dd1e39ab039769535f125115fb79be2_221_Rb3Mg1Mo1
|
[
"Mg",
"Mo",
"Sc"
] | 4
|
A2BC
|
MgMo2Sc
|
Mg1 Sc1 Mo2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.58693912,
0,
0
],
[
0,
3.58693912,
0
],
[
0,
0,
5.82232595
]
] |
agm004108983
|
[
[
1.79346956,
1.79346956,
4.3667444625
],
[
0,
0,
0.2396430351436135
],
[
0,
0,
2.6715199398563865
],
[
1.79346956,
1.79346956,
1.4555814875
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Mg",
"Mo",
"Mo",
"Sc"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
3.317284,
0,
0
],
[
0,
3.317284,
0
],
[
0,
0,
3.6910803
]
] | -27.900189
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.00927295
],
[
0,
0,
0.00927295
],
[
0,
0,
0
]
] | -0.000008
| 3.488638
|
pbe
| true
|
2e1c97790ce8c83a5f39514b927b5a4b_123_Mg1Sc1Mo2
|
[
"Mg",
"Na",
"Tl"
] | 11
|
A5B5C
|
Mg5NaTl5
|
Na1 Mg5 Tl5
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.69224955,
0,
0
],
[
-2.84612478,
4.92963272,
0
],
[
0,
0,
10.7851233
]
] |
agm003674746
|
[
[
-3.1794581310761794e-8,
3.2864218297654424,
0
],
[
1.4351627430629856,
0.82859485092484,
5.39256165
],
[
0,
0,
2.7956649812508694
],
[
2.8461248001420825,
3.2724528281194325,
5.39256165
],
[
4.257086862178665,
0.82859485092484,
5.39256165
],
[
0,
0,
7.989458318749132
],
[
2.846124801794581,
1.6432108902345575,
1.791919871420721
],
[
2.846124801794581,
1.6432108902345575,
8.99320342857928
],
[
-3.1794581310761794e-8,
3.2864218297654424,
3.5927949542711315
],
[
-3.1794581310761794e-8,
3.2864218297654424,
7.192328345728869
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Na",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl"
] |
2023-11-16 06:57:59
|
[
0.45454545454545453,
0.09090909090909091,
0.45454545454545453
] |
[
[
3.4663627,
0,
0
],
[
0,
3.4663627,
0
],
[
0,
0,
3.3052382
]
] | -20.848533
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.00220563,
0.00127342,
0
],
[
0,
0,
0.00590818
],
[
0,
-0.00254684,
0
],
[
-0.00220563,
0.00127342,
0
],
[
0,
0,
-0.00590818
],
[
0,
0,
-0.0015326
],
[
0,
0,
0.0015326
],
[
0,
0,
-0.00093121
],
[
0,
0,
0.00093121
],
[
0,
0,
0
]
] | -0.000002
| 4.426204
|
pbe
| true
|
1750ed6dbd1ed0077be1fe02ed1a582b_187_Na1Mg5Tl5
|
[
"Mg",
"Ni",
"Rb"
] | 3
|
ABC
|
MgNiRb
|
Mg1 Ni1 Rb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.614711,
3.614711
],
[
3.614711,
0,
3.614711
],
[
3.614711,
3.614711,
0
]
] |
oqmd-3180330
|
[
[
0,
0,
0
],
[
1.8073599999999992,
1.8073599999999992,
1.8073599999999992
],
[
5.422069999999997,
5.422069999999997,
5.422069999999997
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
|
[
"Mg",
"Ni",
"Rb"
] |
2024-11-01 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
-3.72721,
0,
0
],
[
0,
-3.72721,
0
],
[
0,
0,
-3.72721
]
] | -5.36188
|
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.402565
| null |
pbe
| true
|
505ab59c939a9da659f5a80248eb55ef_216_Rb1Mg1Ni1
|
[
"Mg",
"Ni",
"Sb"
] | 4
|
A2BC
|
Mg2NiSb
|
Mg2 Ni1 Sb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
8.81841354,
-0.06518521,
-0.03845788
],
[
8.23534224,
3.15401404,
-0.03845788
],
[
8.23534224,
1.49161058,
2.77927715
]
] |
agm004393830
|
[
[
0.33803735010549835,
0.06122636715831719,
0.0361222485112188
],
[
12.306511659894502,
2.2289933378416826,
1.3150584464887811
],
[
18.966823514999998,
3.4353295575,
2.0267710425
],
[
6.322274504999999,
1.1451098524999999,
0.6755903475
]
] |
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Mg",
"Mg",
"Ni",
"Sb"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
-0.8217572,
0.16081384,
0.09487673
],
[
0.16081384,
-1.6805006,
0.01718437
],
[
0.09487673,
0.01718437,
-1.6994892
]
] | -12.988462
|
[
0,
0,
0.004,
0
] |
[
[
0.00052724,
0.00009549,
0.00005634
],
[
-0.00052724,
-0.00009549,
-0.00005634
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.003927
| 2.37442
|
pbe
| true
|
6549267e76b0990e8667cccc5fe73af0_166_Mg2Ni1Sb1
|
[
"Mg",
"O",
"Ta"
] | 9
|
A5B2C2
|
Mg2O5Ta2
|
Mg2 O5 Ta2
| 3
|
[
1,
1,
1
] | 3
|
[
[
8.661014,
0,
0
],
[
0,
3.473343,
0
],
[
0,
0,
3.473343
]
] |
oqmd-2051882
|
[
[
2.145429999999998,
1.736670000000001,
1.736670000000001
],
[
6.515579999999998,
1.736670000000001,
1.736670000000001
],
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1.736670000000001
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[
0,
0,
0
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[
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0,
0
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] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
|
[
"Mg",
"Mg",
"O",
"O",
"O",
"O",
"O",
"Ta",
"Ta"
] |
2024-11-01 00:00:00
|
[
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0.2222222222222222
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[
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0.03,
0.03,
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1.728
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0,
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| null |
pbe
| true
|
7c05eee97cdd4bd28d0461e3b7f5fa2f_123_Mg2Ta2O5
|
[
"Mg",
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|
A3BC
|
MgOSc3
|
Mg2 Sc6 O2
| 3
|
[
1,
1,
1
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[
[
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agm003130594
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|
[
"Sc",
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"Sc",
"Sc",
"Sc",
"Sc",
"Mg",
"Mg",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.2,
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[
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| 8.258918
|
pbe
| true
|
b00966e2e4480a5c9ba6ac1e45d0d5e7_119_Mg2Sc6O2
|
[
"Mn",
"Sr",
"Y"
] | 3
|
ABC
|
MnSrY
|
Sr1 Y1 Mn1
| 3
|
[
1,
1,
1
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|
[
[
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agm004228221
|
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Mn",
"Sr",
"Y"
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2023-11-16 06:57:59
|
[
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[
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[
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[
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| 5.519644
|
pbe
| true
|
dc3a100dcd22843da8125944d45c984b_156_Sr1Y1Mn1
|
[
"Mg",
"P",
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|
ABC
|
MgPPb
|
Mg1 P1 Pb1
| 3
|
[
1,
1,
1
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|
[
[
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[
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agm003968823
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[
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|
[
"Mg",
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2023-11-16 06:57:59
|
[
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[
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[
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[
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[
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| 1.936508
|
pbe
| true
|
93a756bf69fe3c3516ad2abd047c8fa7_156_Mg1P1Pb1
|
[
"Mg",
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] | 18
|
A6B2C
|
MgPd6Zn2
|
Mg2 Zn4 Pd12
| 3
|
[
1,
1,
1
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|
[
[
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agm003490205
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|
[
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2023-11-16 06:57:59
|
[
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[
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|
pbe
| true
|
227b03f3c719a580dd81872df7a0821a_136_Mg2Zn4Pd12
|
[
"Mg",
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] | 4
|
A2BC
|
Mg2PtZn
|
Mg2 Zn1 Pt1
| 3
|
[
1,
1,
1
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|
[
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agm003182811
|
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|
[
"Zn",
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2023-11-16 06:57:59
|
[
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[
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pbe
| true
|
de3df891e1e6f57323dc3557ebff19f8_8_Mg2Zn1Pt1
|
[
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A6B4C
|
Mg4S6Si
|
Mg8 Si2 S12
| 3
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[
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[
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agm006107313
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2023-11-16 06:57:59
|
[
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0.00295606,
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],
[
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0.00013786,
-0.00007443
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[
0.00026843,
0.00013786,
0.000089
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[
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0.00222966,
0.00195797
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[
0.00106316,
0.00222966,
0.00305727
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[
0.00287064,
0.00009358,
-0.00208503
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[
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0.00009358,
-0.00332532
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[
0.00063514,
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[
0.00206815,
-0.00650692,
-0.00426004
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[
0.00375599,
0.006162,
0.00024531
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[
-0.00326409,
0.006162,
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[
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[
0.00325312,
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0.00074264
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[
-0.00336244,
0.00192269,
0.00584352
],
[
-0.00043351,
0.00192269,
0.00672791
]
] | 0
| 0
|
pbe
| true
|
40899041c46d5d6eed8f9b77b377a913_9_Mg8Si2S12
|
[
"Mg",
"Sn",
"Tl"
] | 4
|
A2BC
|
Mg2SnTl
|
Mg2 Tl1 Sn1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.85880989,
0,
0
],
[
2.42940495,
4.2078528,
0
],
[
2.42940494,
1.4026176,
5.30066957
]
] |
agm005110442
|
[
[
2.4294049414407004,
1.4026176,
4.1551678955148885
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[
2.4294049695826723,
1.4026176140261764,
1.0956834905515536
],
[
7.288212404218963,
4.2078513973824,
5.0696318827805
],
[
4.858809889646773,
2.8052352000000003,
2.9311854084901845
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Mg",
"Mg",
"Tl",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
3.0539188,
0,
0
],
[
0,
3.0539188,
0
],
[
0,
0,
2.9418783
]
] | -9.424482
|
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00188313
],
[
0,
0,
0.0103316
],
[
0,
0,
-0.00346171
],
[
0,
0,
-0.00498676
]
] | 0
| 1.761917
|
pbe
| true
|
c6ac9c493ca075bbb2da47fcf59ed485_160_Mg2Tl1Sn1
|
[
"Mn",
"N",
"Na"
] | 12
|
A5B5C2
|
Mn2N5Na5
|
Na5 Mn2 N5
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.15585425,
0,
0
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[
-1.57792713,
5.41912498,
-1.1439016
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[
0,
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8.66361712
]
] |
agm005662617
|
[
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4.33180856
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6.936002221696802
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0.5837132983031983
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[
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1.0222799578098278,
2.7142510287739774
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[
1.5779271238210153,
1.0774777738639818,
6.56280037339615
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[
0.0000015741061147316027,
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0.9569162905054494
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[
1.5779255430958503,
4.142820572190172,
4.805464491226022
],
[
0,
0,
0
]
] |
[{"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": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Na",
"Na",
"Na",
"Na",
"Na",
"Mn",
"Mn",
"N",
"N",
"N",
"N",
"N"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.4166666666666667,
0.4166666666666667
] |
[
[
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0
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[
0,
0.6693013,
-0.05645907
],
[
0,
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0.60001075
]
] | -68.082805
|
[
0.003,
0,
0.001,
0.001,
0,
0.281,
0.281,
0.017,
0.011,
0.011,
0.017,
-0.015
] |
[
[
0,
0,
0
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[
0,
0.00001933,
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[
0,
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0.00002359
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[
0,
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[
0,
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[
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0.00063091
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[
0,
0.00279671,
0.00029121
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[
0,
0,
0
]
] | 0.671944
| 4.869154
|
pbe
| true
|
dd9e91313d03368ee37d71c6baa6cf40_12_Na5Mn2N5
|
[
"Mn",
"N",
"Sm"
] | 6
|
ABC
|
MnNSm
|
Sm2 Mn2 N2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.33853529,
0,
0
],
[
0,
3.37621967,
0
],
[
-1.66926764,
0,
8.23243084
]
] |
agm001060979
|
[
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2.5321647525,
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0.8440549175,
4.1243405822661545
],
[
-1.4197611422457432e-8,
2.5321647525,
4.108090257733845
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"N",
"N",
"Sm",
"Sm",
"Mn",
"Mn"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
[
0.583981,
0,
0
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[
0,
0.8225174,
0
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[
0,
0,
0.63659555
]
] | -46.844856
|
[
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0.00291309
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[
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[
0,
0,
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[
0,
0,
0.0003216
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[
0,
0,
0.00080639
],
[
0,
0,
-0.00080639
]
] | -0.000325
| 3.755738
|
pbe
| true
|
354a992305363e9ef9e7bacd716e3819_63_Sm2Mn2N2
|
[
"Mn",
"Nb",
"Rb"
] | 5
|
A3BC
|
Mn3NbRb
|
Rb1 Mn3 Nb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.11601992,
0,
0
],
[
0,
5.11601992,
0
],
[
0,
0,
5.11601992
]
] |
agm002526527
|
[
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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,
2.55800996
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[
2.55800996,
0,
0
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[
2.55800996,
2.55800996,
2.55800996
]
] |
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]
|
[
"Nb",
"Mn",
"Mn",
"Mn",
"Rb"
] |
2023-11-16 06:57:59
|
[
0.6,
0.2,
0.2
] |
[
[
0.9964589,
0,
0
],
[
0,
0.9964589,
0
],
[
0,
0,
0.9964589
]
] | -32.545557
|
[
-1.719,
3.706,
3.543,
3.797,
0.009
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[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 9.732911
| 3.474237
|
pbe
| true
|
184338800e1fa6a7225e2645c64d3d85_221_Rb1Mn3Nb1
|
[
"Mn",
"Nb",
"Os"
] | 6
|
ABC
|
MnNbOs
|
Mn2 Nb2 Os2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.23007373,
0,
0
],
[
0,
3.31532014,
0
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[
-2.11503686,
0,
6.37360971
]
] |
agm003604558
|
[
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3.19790768311482
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[
2.1150347524544246,
2.4864901049999997,
3.17570202688518
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[
2.115036869098869,
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5.2249181242114044
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[
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2.4864901049999997,
1.1486915857885962
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[
2.115036844775524,
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1.180255421947138
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[
2.522447613896712e-8,
2.4864901049999997,
5.193354288052863
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
|
[
"Mn",
"Mn",
"Nb",
"Nb",
"Os",
"Os"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
[
10.113062,
0,
0
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[
0,
2.9407792,
0
],
[
0,
0,
5.37064
]
] | -60.767712
|
[
2.115,
2.115,
-0.21,
-0.21,
-0.009,
-0.009
] |
[
[
0,
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[
0,
0,
0.00107988
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[
0,
0,
0.03329543
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[
0,
0,
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[
0,
0,
-0.00793493
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[
0,
0,
0.00793493
]
] | 3.913779
| 5.836896
|
pbe
| true
|
50e1f7990ebe1d47d5c022ddb9ee97a4_63_Mn2Nb2Os2
|
[
"Mn",
"Nb",
"W"
] | 4
|
A2BC
|
Mn2NbW
|
Mn2 Nb1 W1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.28995383,
0,
0
],
[
2.14497691,
3.71520899,
0
],
[
2.14497691,
1.238403,
3.50273263
]
] |
agm002161854
|
[
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2.1449769125,
1.2384029975,
0.8756831575
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[
0,
0,
0
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[
4.289953825,
2.476805995,
1.751366315
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[
6.4349307375,
3.7152089924999996,
2.6270494725
]
] |
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]
|
[
"Nb",
"Mn",
"Mn",
"W"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
4.766382,
0,
0
],
[
0,
4.766382,
0
],
[
0,
0,
4.766382
]
] | -41.331811
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00032
| 4.370232
|
pbe
| true
|
01d0d780bf2720fb7a76009d791880bf_225_Mn2Nb1W1
|
[
"Mn",
"Nd",
"P"
] | 14
|
A3B3C
|
Mn3NdP3
|
Nd2 Mn6 P6
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.2594767,
0,
0
],
[
0,
6.2594767,
0
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[
0,
0,
6.2594767
]
] |
agm005402997
|
[
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[
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[
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[
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[
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0
],
[
3.12973835,
3.12973835,
3.12973835
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"P",
"P",
"P",
"P",
"P",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Nd",
"Nd"
] |
2023-11-16 06:57:59
|
[
0.42857142857142855,
0.14285714285714285,
0.42857142857142855
] |
[
[
2.6965337,
0,
0
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[
0,
2.6965337,
0
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[
0,
0,
2.6965337
]
] | -102.808976
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[
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1.968,
1.968,
1.968,
1.968,
1.968,
1.968,
0.076,
0.076
] |
[
[
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0
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[
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[
0,
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[
0,
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[
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[
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[
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[
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[
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[
0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 12.467275
| 7.760355
|
pbe
| true
|
9fa717f502bea4e24431b0fabe9581a9_223_Nd2Mn6P6
|
[
"Mn",
"Np",
"Se"
] | 19
|
A12B5C2
|
Mn2Np5Se12
|
Np5 Mn2 Se12
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.29349605,
0,
0
],
[
-3.64674803,
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0.11707172
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[
0,
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8.49624656
]
] |
agm003369969
|
[
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[
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
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2023-11-16 06:57:59
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