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A8B2CD
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BaCl8CuNi2
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Ba1 Cu1 Ni2 Cl8
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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fe228465cad33da1e7442f1503d2a44d_163_Ba2Li2Y2Cl12
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A2B2CD
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BaCoLi2N2
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Ba2 Li4 Co2 N4
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2023-11-16 06:57:59
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f1ac220c6b92ce98fb3571745569525d_58_Ba2Li4Co2N4
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[
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A2BCD
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Ba2CsSZr
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Cs1 Ba2 Zr1 S1
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2023-11-16 06:57:59
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A5B2CD
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BaCuO5Tm2
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Ba4 Tm8 Cu4 O20
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2023-11-16 06:57:59
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[
-0.0030231,
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] | 3.904604
| 1.329955
|
pbe
| true
|
cee37fbf7651760c67c1d5f39a6fef18_62_Ba4Tm8Cu4O20
|
[
"Ba",
"Cu",
"Os",
"Ti"
] | 5
|
A2BCD
|
BaCu2OsTi
|
Ba1 Ti1 Cu2 Os1
| 4
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
0,
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0,
4.81313471
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agm001579776
|
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[
2.406567355,
2.64914506,
2.406567355
]
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Os",
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"Cu",
"Ti"
] |
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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[
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[
0,
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0,
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| 10.407107
|
pbe
| true
|
12e7c02e0b92e78eb789f89664f60dfe_123_Ba1Ti1Cu2Os1
|
[
"Ba",
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"Na",
"Te"
] | 12
|
A6B3C2D
|
Ba3Dy2NaTe6
|
Ba3 Na1 Dy2 Te6
| 4
|
[
1,
1,
1
] | 3
|
[
[
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agm004645291
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Ba",
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"Ba",
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"Dy",
"Dy",
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"Te",
"Te",
"Te",
"Te",
"Te"
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2023-11-16 06:57:59
|
[
0.25,
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0.08333333333333333,
0.5
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[
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[
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[
0.00334808,
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| 3.805457
|
pbe
| true
|
4845577ddce9a440f8c3b8fc90015d80_12_Ba3Na1Dy2Te6
|
[
"Ba",
"F",
"Na",
"Pt"
] | 9
|
A6BCD
|
BaF6NaPt
|
Ba1 Na1 Pt1 F6
| 4
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
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[
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agm005101259
|
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3.485925291960669
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Ba",
"Na",
"Pt",
"F",
"F",
"F",
"F",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
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[
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[
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[
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[
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| 6.38224
|
pbe
| true
|
4cc584fa0c4c6990adb4921e4b2a5d48_149_Ba1Na1Pt1F6
|
[
"Ba",
"Fe",
"O",
"Re"
] | 10
|
A6B2CD
|
Ba2FeO6Re
|
Ba2 Fe1 Re1 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.80125661,
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[
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agm003204936
|
[
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1.2048972355569412
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[
-2.933111673382456,
0.10991866526292476,
3.5103109312387657
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Ba",
"Ba",
"Fe",
"Re",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.2,
0.1,
0.6,
0.1
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[
[
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[
0.01322516,
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0.01173953
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[
0.01611182,
0.01173942,
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[
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3.755,
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0.004,
0,
0.004,
0,
0.004
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[
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[
0.000207,
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[
-0.00121738,
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[
0.00007767,
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0.00155505
]
] | 2.982536
| 3.115501
|
pbe
| true
|
0e8c4183e72d4cee9646a925a1d81cda_139_Ba2Fe1Re1O6
|
[
"Ba",
"Ga",
"I",
"Ir"
] | 5
|
A2BCD
|
Ba2GaIIr
|
Ba2 Ga1 Ir1 I1
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.18542729,
0,
0
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[
0,
6.18542729,
0
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[
0,
0,
4.80564026
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agm001614298
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[
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0,
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[
0,
3.092713645,
0
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[
3.092713645,
0,
0
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[
0,
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2.40282013
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] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"I",
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"Ba",
"Ga"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
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[
[
0.69125843,
0,
0
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[
0,
0.69125843,
0
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[
0,
0,
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] | -20.997615
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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,
0,
0
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[
0,
0,
0
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] | 0
| 2.662025
|
pbe
| true
|
f2122885c7ac76db9d658e3a5342d4b3_123_Ba2Ga1Ir1I1
|
[
"Ba",
"Ge",
"Pd",
"Pt"
] | 18
|
A12B3C2D
|
Ba2Ge3PdPt12
|
Ba2 Ge3 Pd1 Pt12
| 4
|
[
1,
1,
1
] | 3
|
[
[
8.03407602,
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[
3.78053678,
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[
3.78053678,
2.20058538,
6.74395592
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] |
agm004491981
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[
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[
7.935541221326724,
1.8236779856536813,
4.255521214997599
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|
[
"Ba",
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"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
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2023-11-16 06:57:59
|
[
0.1111111111111111,
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0.05555555555555555,
0.6666666666666666
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| 7.059801
|
pbe
| true
|
577be9803f2836b52ba437e539fcee5b_166_Ba2Ge3Pd1Pt12
|
[
"Ba",
"Hg",
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] | 4
|
ABCD
|
BaHgRhSr
|
Ba1 Sr1 Hg1 Rh1
| 4
|
[
1,
1,
1
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[
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agm001402669
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|
[
"Sr",
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] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
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3.2473338,
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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
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| 1.406221
|
pbe
| true
|
68e15ce5b39589cb5a2866ba8edfdbbe_216_Ba1Sr1Hg1Rh1
|
[
"Ba",
"Li",
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"Zn"
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|
A2BCD
|
Ba2LiPtZn
|
Ba2 Li1 Zn1 Pt1
| 4
|
[
1,
1,
1
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[
[
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0,
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0,
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agm001615676
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|
[
"Zn",
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"Ba",
"Pt",
"Li"
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2023-11-16 06:57:59
|
[
0.4,
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0.2
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[
0,
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0
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[
0,
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[
0,
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0,
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[
0,
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0,
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| 2.929964
|
pbe
| true
|
5b68eba2465ec0d197b67dc1d030e1b7_123_Ba2Li1Zn1Pt1
|
[
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] | 7
|
A2B2C2D
|
BaLi2Si2Zn2
|
Ba1 Li2 Zn2 Si2
| 4
|
[
1,
1,
1
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[
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0
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1e-8
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agm002159402
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|
[
"Zn",
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2023-11-16 06:57:59
|
[
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[
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| 1.347382
|
pbe
| true
|
1ddb327f594417c2a84aa89253d2acf1_12_Ba1Li2Zn2Si2
|
[
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|
A5B2CD
|
Ba2MgScTe5
|
Ba4 Mg2 Sc2 Te10
| 4
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[
1,
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[
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agm005160527
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|
[
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2023-11-16 06:57:59
|
[
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pbe
| true
|
fef053046eb0af7607e03bd4fc0af2c5_36_Ba4Mg2Sc2Te10
|
[
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|
ABCD
|
BaMgPmZn
|
Ba1 Pm1 Mg1 Zn1
| 4
|
[
1,
1,
1
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[
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agm001370044
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|
[
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2023-11-16 06:57:59
|
[
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| 3.007834
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pbe
| true
|
ae27dbc0b6d52993a3160125562d741d_216_Ba1Pm1Mg1Zn1
|
[
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A5B2CD
|
Ba2MnNpS5
|
Ba4 Np2 Mn2 S10
| 4
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[
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[
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agm005159660
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|
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2023-11-16 06:57:59
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| 16.723137
|
pbe
| true
|
effcba4a3f7a2c5832d72ad3245fd69e_36_Ba4Np2Mn2S10
|
[
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"Mo",
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"O"
] | 18
|
A12B3C2D
|
Ba2Mo3NbO12
|
Ba2 Nb1 Mo3 O12
| 4
|
[
1,
1,
1
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[
[
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agm004493962
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2023-11-16 06:57:59
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pbe
| true
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536527ac33cb7f1ca953a31fa8d62f3f_166_Ba2Nb1Mo3O12
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[
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|
A2BCD
|
Ba2MoSSi
|
Ba2 Si1 Mo1 S1
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agm001449570
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|
[
"S",
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2023-11-16 06:57:59
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| 2.076152
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pbe
| true
|
b53b8751c3cf8b3fc57a8581ad6ddd90_123_Ba2Si1Mo1S1
|
[
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A2BCD
|
BaN2TaTe
|
Ba1 Ta1 Te1 N2
| 4
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[
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1
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agm001736842
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[
"N",
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2023-11-16 06:57:59
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pbe
| true
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9d288b606c12a130c6e1797f08e8af03_123_Ba1Ta1Te1N2
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[
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A6B2CD
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Ba2NbO6Os
|
Ba2 Nb1 Os1 O6
| 4
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[
1,
1,
1
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[
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agm002365637
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|
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2023-11-16 06:57:59
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| 4.370584
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pbe
| true
|
aae29ee03c3f845855ae8b423813cd31_225_Ba2Nb1Os1O6
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[
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A4B3C3D2
|
Ba3O3S4V2
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Ba6 V4 S8 O6
| 4
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[
1,
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1
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[
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agm003230834
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[
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2023-11-16 06:57:59
|
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[
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pbe
| true
|
71b1afaa5ab94079a5248fe1b92c8cf6_173_Ba6V4S8O6
|
[
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|
A2B2C2D
|
Ba2OSb2Sr2
|
Ba2 Sr2 Sb2 O1
| 4
|
[
1,
1,
1
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|
[
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[
-2.55210744,
-2.55210743,
9.07662908
]
] |
agm004540647
|
[
[
2.3841338514903398e-8,
2.7200810194486307e-8,
3.0492678525657038
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2.5521074061586613,
2.5521074127991894,
6.027361227434297
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0.0000025557823633989045,
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[
2.552109985782363,
2.552104884217637,
2.405436865061007
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[
0,
0,
0
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Ba",
"Ba",
"Sr",
"Sr",
"Sb",
"Sb",
"O"
] |
2023-11-16 06:57:59
|
[
0.2857142857142857,
0.14285714285714285,
0.2857142857142857,
0.2857142857142857
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0,
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0
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[
0,
0,
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]
] | -31.609919
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[
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,
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[
0,
0,
-0.00477724
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[
0,
0,
0
]
] | 0
| -0.004888
|
pbe
| true
|
85d66d7c23a4e225e38ab88fa55f2ab1_139_Ba2Sr2Sb2O1
|
[
"Ba",
"O",
"Sc",
"Sr"
] | 7
|
A4BCD
|
BaO4ScSr
|
Ba1 Sr1 Sc1 O4
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.16225315,
0,
0
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[
0,
4.16225315,
0
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[
-2.08112658,
-2.08112658,
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agm005057026
|
[
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2.0811265735518214,
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1.9045652480300639
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[
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4.763323763399448
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6.564376345292013
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6.5054392851330265
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[
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2.0811265492421787,
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[
2.0811265507981886,
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4.459060718520249
],
[
1.915636746117623e-8,
1.915636746117623e-8,
2.176431920249445
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Ba",
"Sr",
"Sc",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.5714285714285714,
0.14285714285714285,
0.14285714285714285
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[
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[
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[
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[
-0.001,
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0.184,
0.184,
0.277,
0.25
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[
[
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[
0,
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0,
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[
0,
0,
0.00447046
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[
0,
0,
-0.001774
]
] | 1.043018
| 5.550893
|
pbe
| true
|
ab1c06987ff432f52322f7d7e0a9529c_107_Ba1Sr1Sc1O4
|
[
"Ba",
"O",
"Ta",
"Th"
] | 18
|
A12B3C2D
|
Ba2O12Ta3Th
|
Ba2 Th1 Ta3 O12
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.16796189,
-0.23440278,
-0.16625963
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[
3.33609114,
6.34863121,
-0.16625963
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[
3.33609114,
1.94188122,
6.04664021
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agm004493756
|
[
[
8.646192168045962,
5.032799608528173,
3.569716268725642
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5.193952001954039,
3.023310041471826,
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1.66804557,
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3.023320105
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0.6143002564538274
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[
7.847914263470734,
1.7975029526624338,
4.210645090761299
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Ba",
"Ba",
"Th",
"Ta",
"Ta",
"Ta",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
0.6666666666666666,
0.16666666666666666,
0.05555555555555555
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[
[
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[
0.0418683,
0.62408745,
0.01728598
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[
0.02969678,
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]
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|
[
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0.044,
0.109,
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0.044,
0.109,
0.044,
0.044,
0.109,
0.109,
0.044,
0.109,
0.044
] |
[
[
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[
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[
-0.000539,
0.00025867,
-0.00042304
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[
0.0001212,
-0.0004696,
0.00023924
]
] | 1.000492
| 7.867867
|
pbe
| true
|
2619c3d352f43b1b4c08892730d8fb22_166_Ba2Th1Ta3O12
|
[
"Ba",
"P",
"Rb",
"S"
] | 5
|
A2BCD
|
BaPRbS2
|
Rb1 Ba1 P1 S2
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.01563397,
0,
0
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[
0,
6.01563397,
0
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[
0,
0,
6.31907051
]
] |
agm001777817
|
[
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[
0,
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0
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[
3.007816985,
0,
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[
0,
0,
0
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[
3.007816985,
3.007816985,
3.159535255
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] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"S",
"S",
"Ba",
"Rb"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
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0,
0
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[
0,
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0
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[
0,
0,
-0.05808608
]
] | -16.80099
|
[
0.926,
0.508,
0.508,
0.044,
0.004
] |
[
[
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
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[
0,
0,
0
]
] | 4.041912
| 6.300552
|
pbe
| true
|
e9821e2c2f64320cf7f84e796486d8c8_123_Rb1Ba1P1S2
|
[
"Ba",
"P",
"S",
"Sb"
] | 5
|
A2BCD
|
BaPS2Sb
|
Ba1 Sb1 P1 S2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.80746258,
0,
0
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[
0,
5.80746258,
0
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[
0,
0,
6.02135167
]
] |
agm001777987
|
[
[
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3.010675835
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[
0,
2.90373129,
0
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[
2.90373129,
0,
0
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[
0,
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0
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[
0,
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3.010675835
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Sb",
"S",
"S",
"Ba",
"P"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
0.14894956,
0,
0
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[
0,
0.14894956,
0
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[
0,
0,
-0.03377937
]
] | -15.285996
|
[
-0.641,
0.452,
0.452,
0.043,
0.752
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[
[
0,
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0
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[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.703927
| 5.192145
|
pbe
| true
|
556a3a8de7936ff0bb3a1be1a66e18bc_123_Ba1Sb1P1S2
|
[
"Ba",
"Si",
"Te",
"W"
] | 5
|
A2BCD
|
BaSiTeW2
|
Ba1 Si1 Te1 W2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.22440698,
0,
0
],
[
0,
5.27176912,
0
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[
0,
0,
5.22440698
]
] |
agm001539341
|
[
[
0,
2.63588456,
0
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[
2.61220349,
2.63588456,
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[
0,
0,
0
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[
0,
0,
2.61220349
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[
2.61220349,
0,
0
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] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Si",
"Te",
"Ba",
"W",
"W"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.08696718,
0,
0
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[
0,
2.6261864,
0
],
[
0,
0,
0.08696718
]
] | -20.430563
|
[
-0.068,
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-0.034,
0.992,
1.376
] |
[
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 2.752838
| 7.306913
|
pbe
| true
|
80dae58b6c4e276584fda79bd0f36d48_123_Ba1Si1Te1W2
|
[
"Be",
"Bi",
"Cs",
"Zn"
] | 5
|
A2BCD
|
BeBiCs2Zn
|
Cs2 Be1 Zn1 Bi1
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.9156692,
0,
0
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[
0,
4.47313354,
0
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[
0,
0,
6.9156692
]
] |
agm001579662
|
[
[
0,
0,
3.4578346
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[
3.4578346,
0,
0
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[
0,
2.23656677,
0
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[
0,
0,
0
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[
3.4578346,
2.23656677,
3.4578346
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
"Cs",
"Be",
"Zn",
"Bi"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
0.20227355,
0,
0
],
[
0,
1.1318151,
0
],
[
0,
0,
0.20227355
]
] | -8.544016
|
[
0,
0,
0,
0,
0
] |
[
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0.000331
| 5.392407
|
pbe
| true
|
d00ec8ee9f062a0345788fbed026f182_123_Cs2Be1Zn1Bi1
|
[
"Be",
"Bi",
"Ge",
"Rh"
] | 5
|
A2BCD
|
BeBiGeRh2
|
Be1 Ge1 Bi1 Rh2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.7018972,
0,
0
],
[
0,
4.17034229,
0
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[
0,
0,
4.7018972
]
] |
agm001565221
|
[
[
0,
2.085171145,
0
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[
0,
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0
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[
0,
0,
2.3509486
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[
2.3509486,
0,
0
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[
2.3509486,
2.085171145,
2.3509486
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Be",
"Ge",
"Rh",
"Rh",
"Bi"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
4.815684,
0,
0
],
[
0,
5.576865,
0
],
[
0,
0,
4.815684
]
] | -25.265902
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 3.139348
|
pbe
| true
|
ba55fcb8f42a34d0ffe8c14e068b2e7a_123_Be1Ge1Bi1Rh2
|
[
"Be",
"Bi",
"I",
"Sb"
] | 5
|
A2BCD
|
BeBiI2Sb
|
Be1 Bi1 Sb1 I2
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.20670048,
0,
0
],
[
0,
6.20670048,
0
],
[
0,
0,
6.11010255
]
] |
agm001710168
|
[
[
0,
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0
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[
3.10335024,
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0
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[
0,
0,
3.055051275
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[
0,
0,
0
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[
3.10335024,
3.10335024,
3.055051275
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
"I",
"Sb",
"Bi",
"Be"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
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[
[
0.2549639,
0,
0
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[
0,
0.2549639,
0
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[
0,
0,
0.07181675
]
] | -10.496485
|
[
0.05,
0.05,
0.598,
-0.08,
0.034
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[
[
0,
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0
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[
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 1.703889
| 2.715776
|
pbe
| true
|
fdd14921f2c091cd211a267f2b8d80b7_123_Be1Bi1Sb1I2
|
[
"Be",
"Ca",
"Si",
"V"
] | 5
|
A2BCD
|
BeCaSiV2
|
Ca1 Be1 V2 Si1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.56428476,
0,
0
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[
0,
5.255069,
0
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[
0,
0,
4.56428476
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agm001492453
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[
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2.6275345,
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[
0,
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[
0,
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2.28214238
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[
2.28214238,
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] |
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Be",
"Ca",
"Si",
"V",
"V"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
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[
[
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0,
0
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[
0,
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0
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[
0,
0,
-2.3769662
]
] | -24.510395
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[
-0.098,
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1.324,
1.129
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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
]
] | 2.38148
| 5.89604
|
pbe
| true
|
304731e4b63a3997996c72e10e33ef89_123_Ca1Be1V2Si1
|
[
"Be",
"Ca",
"N",
"Pd"
] | 5
|
A2BCD
|
BeCa2NPd
|
Ca2 Be1 Pd1 N1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.09630677,
0,
0
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[
0,
5.09630677,
0
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[
0,
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3.26777198
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agm001648642
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[
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0,
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1.63388599
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2.548153385,
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2.548153385,
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[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Be",
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"Ca",
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"N"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
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[
[
0.14075679,
0,
0
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[
0,
0.14075679,
0
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[
0,
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0.04948762
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] | -24.556874
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[
0,
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[
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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
]
] | 0.000004
| 1.880042
|
pbe
| true
|
e30fe6d9f3400681beb8157ce8246634_123_Ca2Be1Pd1N1
|
[
"Be",
"Cd",
"Fe",
"Zn"
] | 5
|
A2BCD
|
BeCdFeZn2
|
Be1 Zn2 Cd1 Fe1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.25306777,
0,
0
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[
0,
4.20548107,
0
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[
0,
0,
4.25306777
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agm001456255
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[
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2.126533885,
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[
0,
2.102740535,
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2.126533885,
2.102740535,
2.126533885
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Be",
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"Zn",
"Fe",
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] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
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[
[
4.255203,
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0
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[
0,
2.7971158,
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[
0,
0,
4.255203
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] | -13.695113
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[
-0.067,
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2.29,
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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
]
] | 2.08052
| 2.101122
|
pbe
| true
|
d2202088e8dc82885abf11bf032432ea_123_Be1Zn2Cd1Fe1
|
[
"Be",
"Co",
"Ga",
"Si"
] | 20
|
A5B2C2D
|
BeCo5Ga2Si2
|
Be2 Ga4 Co10 Si4
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.11323011,
0,
0
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[
0,
8.64932519,
0
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[
0,
0,
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agm005133231
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[
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0,
5.47806965656143,
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[
0,
3.171255533438571,
1.1534070615614296
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Be",
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"Co",
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"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
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"Si",
"Si",
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2023-11-16 06:57:59
|
[
0.1,
0.5,
0.2,
0.2
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[
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0
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[
0,
5.891415,
0
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[
0,
0,
5.891415
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[
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[
0,
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[
0,
0.00157904,
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| 14.429901
|
pbe
| true
|
1a828b09b24019729c16c5e5a399ae51_127_Be2Ga4Co10Si4
|
[
"Be",
"Co",
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"Y"
] | 4
|
ABCD
|
BeCoGdY
|
Gd1 Y1 Be1 Co1
| 4
|
[
1,
1,
1
] | 3
|
[
[
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2.40037909,
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agm001320849
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|
[
"Y",
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"Gd",
"Co"
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2023-11-16 06:57:59
|
[
0.25,
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0.25
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[
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0,
0
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[
0,
1.2095921,
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[
0,
0,
1.2095921
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] | -31.380885
|
[
0.06,
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[
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[
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[
0,
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[
0,
0,
0
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| 2.679498
|
pbe
| true
|
2d138b08cce4bd87c3c7b62e4dd27842_216_Gd1Y1Be1Co1
|
[
"Be",
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"Nd",
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] | 20
|
A6B2CD
|
BeCoNd2O6
|
Nd4 Be2 Co2 O12
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.34030624,
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agm004968760
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|
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2023-11-16 06:57:59
|
[
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] | 2.084952
| -0.043515
|
pbe
| true
|
1a24ca690a31839555e2450fb40c03ab_14_Nd4Be2Co2O12
|
[
"Be",
"Cr",
"Fe",
"Se"
] | 5
|
A2BCD
|
Be2CrFeSe
|
Be2 Cr1 Fe1 Se1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.16607794,
0,
0
],
[
0,
4.58006491,
0
],
[
0,
0,
4.16607794
]
] |
agm001466515
|
[
[
0,
2.290032455,
0
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[
2.08303897,
2.290032455,
2.08303897
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[
0,
0,
0
],
[
0,
0,
2.08303897
],
[
2.08303897,
0,
0
]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
|
[
"Cr",
"Fe",
"Se",
"Be",
"Be"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
5.157494,
0,
0
],
[
0,
5.144442,
0
],
[
0,
0,
5.157494
]
] | -23.354795
|
[
2.939,
2.986,
0.007,
-0.078,
-0.056
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.913018
| 4.350358
|
pbe
| true
|
0e44557f05d8ff57260de7d11f7ed500_123_Be2Cr1Fe1Se1
|
[
"Be",
"Cr",
"Ir",
"Ru"
] | 4
|
ABCD
|
BeCrIrRu
|
Be1 Cr1 Ru1 Ir1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.1071746,
0,
0
],
[
2.0535873,
3.55691754,
0
],
[
2.0535873,
1.18563918,
3.35349401
]
] |
agm001312079
|
[
[
2.0535873,
1.18563918,
0.8383735025
],
[
6.1607619,
3.5569175399999997,
2.5151205075
],
[
4.1071746,
2.37127836,
1.676747005
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[
0,
0,
0
]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"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"]}]
|
[
"Ru",
"Ir",
"Be",
"Cr"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
3.8555942,
0,
0
],
[
0,
3.8555942,
0
],
[
0,
0,
3.8555942
]
] | -32.461957
|
[
-0.152,
-0.052,
-0.007,
1.173
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.008119
| 3.457646
|
pbe
| true
|
a164aa5f81f665baa54cee0d6f32838d_216_Be1Cr1Ru1Ir1
|
[
"Be",
"Cr",
"La",
"S"
] | 24
|
A7B3CD
|
BeCrLa3S7
|
Be2 Cr2 La6 S14
| 4
|
[
1,
1,
1
] | 3
|
[
[
0,
0,
-5.9754565
],
[
-5.08485595,
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0
],
[
-5.08451944,
8.80746181,
0
]
] |
mp-1192356
|
[
[
-3.2636307919731546,
1.2032566187048874,
-1.507411859240495
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[
-7.495473033449663,
2.2247136678846617,
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5.3792838146330295,
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2.935666808510749,
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[
-10.169200324258185,
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[
-0.00017506574181470002,
0.0000029031477067999797,
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[
-1.814846371981004,
0.6567144184948601,
-4.37789860522768
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[
-8.69357168194302,
1.242962099407297,
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[
-4.745929667635785,
6.907673224116582,
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[
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[
-1.4758037080569795,
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[
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[
-3.2102637735240402,
3.5757212734458457,
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[
-5.467665771293832,
0.9922078290768894,
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[
-6.576447064508341,
4.239067808129739,
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[
-6.95911161647596,
-3.575915683445846,
-2.7975711185368053
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[
-4.701709618706168,
-0.9924022390768896,
-2.797273899330495
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[
-3.59292832549166,
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[
-5.084696486727176,
2.9359593120899703,
-2.912489305307855
],
[
-5.084678903272824,
-2.9361537220899714,
-5.900217555307855
]
] |
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
|
[
"La",
"La",
"La",
"La",
"La",
"La",
"Be",
"Be",
"Cr",
"Cr",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2019-01-11 22:24:40
|
[
0.08333333333333333,
0.08333333333333333,
0.25,
0.5833333333333334
] |
[
[
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0.0003875,
0
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[
0.00038749,
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0
],
[
0,
0,
-1.30640555
]
] | -154.305146
|
[
0.011,
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0.011,
0.011,
0.011,
0.011,
0,
0,
2.823,
2.823,
-0.034,
-0.034,
-0.034,
-0.034,
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-0.034,
-0.001,
-0.001,
-0.001,
-0.001,
-0.001,
-0.001,
0,
0
] |
[
[
-0.03168357,
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[
0.01029018,
0.03039774,
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[
0.02199819,
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[
0.03168357,
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[
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[
0.0001963,
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[
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0.11459226
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[
0.00399225,
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0.11459226
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[
0.01896925,
0.0216953,
0.05836826
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[
0.01083046,
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0.05716918
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[
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0.02757809,
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[
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[
0.01404303,
0.00917414,
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[
0.00022813,
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[
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0.00774186,
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[
0.00029671,
-0.00031768,
-0.0214081
],
[
-0.00029671,
0.00031768,
-0.0214081
]
] | 5.502
| 5.788868
|
pbe
| true
|
a3be1e22571081505dafa834eacfd95d_173_La6Be2Cr2S14
|
[
"Be",
"Cr",
"N",
"W"
] | 5
|
A2BCD
|
Be2CrNW
|
Be2 Cr1 W1 N1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.37180404,
0,
0
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[
0,
4.54614412,
0
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[
0,
0,
4.37180404
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] |
agm001429805
|
[
[
0,
2.27307206,
0
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[
0,
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2.18590202
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[
2.18590202,
0,
0
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[
0,
0,
0
],
[
2.18590202,
2.27307206,
2.18590202
]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Cr",
"Be",
"Be",
"W",
"N"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
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0,
0
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[
0,
2.364276,
0
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[
0,
0,
-0.63683856
]
] | -25.887661
|
[
-2.358,
-0.02,
0.012,
0.575,
1.105
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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
]
] | -0.415365
| 3.924988
|
pbe
| true
|
5138f1aa8ebf64f878cc4459ec643a45_123_Be2Cr1W1N1
|
[
"Be",
"Cr",
"P",
"Ta"
] | 5
|
A2BCD
|
BeCrP2Ta
|
Ta1 Be1 Cr1 P2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.36170548,
0,
0
],
[
0,
3.83457718,
0
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[
0,
0,
4.36170548
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agm001434662
|
[
[
0,
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[
0,
1.91728859,
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[
0,
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2.18085274
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[
2.18085274,
0,
0
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[
2.18085274,
1.91728859,
2.18085274
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] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Cr",
"Be",
"P",
"P",
"Ta"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
4.7703166,
0,
0
],
[
0,
-1.1240523,
0
],
[
0,
0,
4.7703166
]
] | -32.666473
|
[
0.53,
-0.018,
0.012,
0.001,
0.218
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.856138
| 5.093257
|
pbe
| true
|
d5952a963ae026b7b8d91607b88f3e51_123_Ta1Be1Cr1P2
|
[
"Be",
"Cs",
"In",
"Ni"
] | 5
|
A2BCD
|
Be2CsInNi
|
Cs1 Be2 In1 Ni1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.68549278,
0,
0
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[
0,
4.9560316,
0
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[
0,
0,
4.68549278
]
] |
agm001466541
|
[
[
2.34274639,
2.4780158,
2.34274639
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[
0,
0,
0
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[
0,
0,
2.34274639
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[
2.34274639,
0,
0
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[
0,
2.4780158,
0
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
"Ni",
"Be",
"Be",
"In"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
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0,
0
],
[
0,
-6.1419425,
0
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[
0,
0,
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]
] | -14.05251
|
[
0,
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,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 0.407045
|
pbe
| true
|
26a9c9a076f1d5ffbf82cc2dec3a7c73_123_Cs1Be2In1Ni1
|
[
"Be",
"Cs",
"Np",
"S"
] | 14
|
A4BCD
|
BeCsNpS4
|
Cs2 Np2 Be2 S8
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.10500983,
0,
-0.29072459
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[
0,
6.42897778,
0
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[
-2.7797787,
0,
9.06990634
]
] |
agm005054305
|
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1.8858848751939696,
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1.439346254806031,
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5.141060774570625,
3.1959081155793556,
2.5749522380284695
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[
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[
1.9327040325516553,
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[
1.3925270974483446,
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[
1.125100397606855,
4.821733335,
5.043187191642604
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[
2.200130732393146,
1.607244445,
3.735994558357395
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] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
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"Be",
"Be",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
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] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.14285714285714285,
0.14285714285714285,
0.5714285714285714
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[
[
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[
0,
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[
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] | -83.680487
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[
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] |
[
[
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0.00159363,
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[
0.00017933,
0,
-0.00149025
],
[
-0.00017933,
0,
0.00149025
],
[
0.00440514,
0,
-0.00040585
],
[
-0.00440514,
0,
0.00040585
],
[
0.00284066,
0.00005646,
-0.00016935
],
[
-0.00284066,
0.00005646,
0.00016935
],
[
-0.00284066,
-0.00005646,
0.00016935
],
[
0.00284066,
-0.00005646,
-0.00016935
],
[
-0.00146509,
0,
0.00163012
],
[
0.00146509,
0,
-0.00163012
],
[
-0.00301366,
0,
-0.0009419
],
[
0.00301366,
0,
0.0009419
]
] | 3.991188
| 16.133833
|
pbe
| true
|
1f358fef4fadfb81fcedddb4664f64cd_11_Cs2Np2Be2S8
|
[
"Be",
"Cu",
"Dy",
"Ga"
] | 8
|
A4B2CD
|
BeCu2DyGa4
|
Dy1 Be1 Ga4 Cu2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.2012956,
0,
0
],
[
2.1006478,
3.63842872,
0
],
[
2.1006478,
1.21280957,
8.43373581
]
] |
agm004797789
|
[
[
0,
0,
0
],
[
4.2012956,
2.4256191449999998,
4.216867905
],
[
4.201295621006477,
2.425619156136431,
6.725898657872007
],
[
6.3019433789935215,
3.638428706574624,
3.282275206153756
],
[
2.100647821006478,
1.2128095834253758,
5.151460603846244
],
[
4.201295578993522,
2.4256191338635684,
1.7078371521279927
],
[
6.301943378993522,
3.63842870550057,
5.999760751619656
],
[
2.100647821006478,
1.2128095844994295,
2.4339750583803443
]
] |
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Dy",
"Be",
"Ga",
"Ga",
"Ga",
"Ga",
"Cu",
"Cu"
] |
2023-11-16 06:57:59
|
[
0.125,
0.25,
0.125,
0.5
] |
[
[
-2.0778234,
0,
0
],
[
0,
-2.0778234,
0
],
[
0,
0,
-2.4994977
]
] | -29.858795
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00040798
],
[
0,
0,
0.00270473
],
[
0,
0,
-0.00270473
],
[
0,
0,
0.00040798
],
[
0,
0,
-0.00054659
],
[
0,
0,
0.00054659
]
] | -0.000001
| 2.587899
|
pbe
| true
|
15b1f52f7a19ea514287af54d079f795_166_Dy1Be1Ga4Cu2
|
[
"Be",
"Cu",
"H",
"Ni"
] | 5
|
A2BCD
|
BeCu2HNi
|
Be1 Cu2 Ni1 H1
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.63582318,
0,
0
],
[
0,
3.63582318,
0
],
[
0,
0,
3.456009
]
] |
agm001606048
|
[
[
0,
0,
1.7280045
],
[
0,
0,
0
],
[
0,
1.81791159,
0
],
[
1.81791159,
0,
0
],
[
1.81791159,
1.81791159,
1.7280045
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Ni",
"H",
"Cu",
"Cu",
"Be"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
-11.0875845,
0,
0
],
[
0,
-11.0875845,
0
],
[
0,
0,
-9.213364
]
] | -21.031573
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 2.148463
|
pbe
| true
|
4eb30bee626cf33b0de3727a91288eba_123_Be1Cu2Ni1H1
|
[
"Be",
"Cu",
"K",
"Y"
] | 5
|
A2BCD
|
BeCuKY2
|
K1 Y2 Be1 Cu1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.40897253,
0,
0
],
[
0,
4.58835718,
0
],
[
0,
0,
5.40897253
]
] |
agm001548821
|
[
[
0,
0,
2.704486265
],
[
2.704486265,
0,
0
],
[
2.704486265,
2.29417859,
2.704486265
],
[
0,
0,
0
],
[
0,
2.29417859,
0
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"Be",
"K",
"Cu"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
-1.9904579,
0,
0
],
[
0,
-1.242512,
0
],
[
0,
0,
-1.9904579
]
] | -13.607551
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 4.476281
|
pbe
| true
|
da157e50fd26aedb3dbedca81eeaa3e8_123_K1Y2Be1Cu1
|
[
"Be",
"Cu",
"Pd",
"Sr"
] | 10
|
A6B2CD
|
BeCuPd6Sr2
|
Sr2 Be1 Cu1 Pd6
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.91556307,
-0.01222045,
0.53888777
],
[
0.00522144,
6.13581099,
-0.00640353
],
[
3.84639302,
3.0433235,
4.88190103
]
] |
agm004929994
|
[
[
6.720107877469933,
3.046579750122718,
2.572279278919387
],
[
4.047071089200808,
6.120331952362991,
2.8420911566961733
],
[
3.4603923643353043,
3.0617957783650533,
0.26624547541451
],
[
10.76717522967729,
9.166911009146537,
5.414384497995564
],
[
3.2131066124443937,
3.0574630187859158,
2.4413735622146113
],
[
8.723468001252998,
7.760981553535573,
4.966315815739824
],
[
2.0426365423142814,
4.715844114685747,
0.4349909202277667
],
[
8.72454312298737,
4.451070936781497,
4.9794096015304
],
[
2.0437088534874808,
1.4059358366446397,
0.4480839341508248
],
[
7.554072596938144,
6.109451347258395,
2.973021926517311
]
] |
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Sr",
"Be",
"Cu",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.1,
0.1,
0.6,
0.2
] |
[
[
-1.2088776,
0.14056832,
0.17034613
],
[
0.14056839,
-1.3762081,
-0.01235093
],
[
0.17034626,
-0.01235069,
-1.2163682
]
] | -46.531284
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.000376,
-0.00195345,
0.0012312
],
[
-0.000376,
0.00195345,
-0.0012312
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00006197,
0.00054217,
0.00066474
],
[
0.00012656,
0.00283101,
0.00099819
],
[
-0.00163763,
-0.0021074,
-0.00052051
],
[
0.00163763,
0.0021074,
0.00052051
],
[
-0.00012656,
-0.00283101,
-0.00099819
],
[
-0.00006197,
-0.00054217,
-0.00066474
]
] | 0
| 4.822326
|
pbe
| true
|
81e42a9ef1a0b0eaacc825ca7d5695cc_12_Sr2Be1Cu1Pd6
|
[
"Be",
"Dy",
"Pt",
"Si"
] | 5
|
A2BCD
|
BeDyPt2Si
|
Dy1 Be1 Si1 Pt2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.0796711,
0,
0
],
[
0,
4.0796711,
0
],
[
-2.03983555,
-2.03983555,
5.08228487
]
] |
agm005017822
|
[
[
0,
0,
0
],
[
2.0398355500000003,
0,
2.541142435
],
[
0,
2.0398355500000003,
2.541142435
],
[
2.0398355703983553,
2.0398355703983553,
1.3338527285074693
],
[
-2.0398355533467503e-8,
-2.0398355533467503e-8,
3.748432141492531
]
] |
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Dy",
"Be",
"Si",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
0.569592,
0,
0
],
[
0,
0.569592,
0
],
[
0,
0,
0.36054063
]
] | -30.595724
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00246621
],
[
0,
0,
0.00246621
]
] | -0
| 3.060922
|
pbe
| true
|
6132ba12ee4ee0e1f8342c824c875c57_119_Dy1Be1Si1Pt2
|
[
"Be",
"F",
"O",
"Tl"
] | 5
|
A2BCD
|
BeF2OTl
|
Be1 Tl1 O1 F2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.50988137,
0,
0
],
[
0,
4.50988137,
0
],
[
0,
0,
4.16056318
]
] |
agm001698654
|
[
[
2.254940685,
2.254940685,
2.08028159
],
[
0,
0,
0
],
[
0,
0,
2.08028159
],
[
0,
2.254940685,
0
],
[
2.254940685,
0,
0
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
|
[
"Be",
"Tl",
"O",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
2.2968106,
0,
0
],
[
0,
2.2968106,
0
],
[
0,
0,
-0.7090814
]
] | -17.052328
|
[
0.305,
-0.017,
0.082,
0.029,
0.029
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.865053
| 0.97035
|
pbe
| true
|
0af916bf68f904ceb4f3fadd8737fb36_123_Be1Tl1O1F2
|
[
"Be",
"Fe",
"Li",
"Rh"
] | 4
|
ABCD
|
BeFeLiRh
|
Li1 Be1 Fe1 Rh1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.0416772,
0,
0
],
[
2.0208386,
3.50019513,
0
],
[
2.0208386,
1.16673171,
3.30001561
]
] |
agm001380028
|
[
[
0,
0,
0
],
[
2.0208386,
1.16673171,
0.8250039025
],
[
4.0416772,
2.33346342,
1.650007805
],
[
6.0625158,
3.50019513,
2.4750117075
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Be",
"Rh",
"Fe",
"Li"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
7.4945197,
0,
0
],
[
0,
7.4945197,
0
],
[
0,
0,
7.4945197
]
] | -21.933022
|
[
-0.041,
0.398,
2.736,
-0.025
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.020902
| 3.94409
|
pbe
| true
|
3e8bdd6848a10d117c380da7ac0d0213_216_Li1Be1Fe1Rh1
|
[
"Be",
"Ga",
"In",
"S"
] | 5
|
A2BCD
|
BeGa2InS
|
Be1 In1 Ga2 S1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.23046029,
0,
0
],
[
0,
4.53672309,
0
],
[
0,
0,
5.23046029
]
] |
agm001589683
|
[
[
0,
2.268361545,
0
],
[
2.615230145,
2.268361545,
2.615230145
],
[
0,
0,
2.615230145
],
[
2.615230145,
0,
0
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Be",
"S",
"Ga",
"Ga",
"In"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
3.394123,
0,
0
],
[
0,
0.5427431,
0
],
[
0,
0,
3.394123
]
] | -13.177877
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 1.403105
|
pbe
| true
|
2a4d62f24d44444843a2ccdeb74b003c_123_Be1In1Ga2S1
|
[
"Be",
"Ga",
"N",
"Se"
] | 5
|
A2BCD
|
BeGaNSe2
|
Be1 Ga1 Se2 N1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.16393135,
0,
0
],
[
0,
5.16393135,
0
],
[
0,
0,
3.60363806
]
] |
agm001794252
|
[
[
2.581965675,
2.581965675,
1.80181903
],
[
0,
0,
0
],
[
0,
2.581965675,
0
],
[
2.581965675,
0,
0
],
[
0,
0,
1.80181903
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Be",
"Ga",
"Se",
"Se",
"N"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
-0.02125956,
0,
0
],
[
0,
-0.02125956,
0
],
[
0,
0,
0.40631595
]
] | -17.098009
|
[
0.006,
0,
0.209,
0.209,
0.838
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.789259
| 2.786065
|
pbe
| true
|
853fbdc8b10cac39c84ed00082469ac4_123_Be1Ga1Se2N1
|
[
"Be",
"Ga",
"Nb",
"Pb"
] | 5
|
A2BCD
|
Be2GaNbPb
|
Be2 Nb1 Ga1 Pb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.7002649,
0,
0
],
[
0,
5.446303,
0
],
[
0,
0,
4.7002649
]
] |
agm001531243
|
[
[
0,
2.7231515,
0
],
[
0,
0,
2.35013245
],
[
2.35013245,
0,
0
],
[
0,
0,
0
],
[
2.35013245,
2.7231515,
2.35013245
]
] |
[{"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": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Pb",
"Be",
"Be",
"Nb",
"Ga"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
1.0861708,
0,
0
],
[
0,
0.84493726,
0
],
[
0,
0,
1.0861708
]
] | -18.294985
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00006
| 4.697648
|
pbe
| true
|
71c969f36a090487c4142ad086b0cbd8_123_Be2Nb1Ga1Pb1
|
[
"Be",
"Ge",
"Hf",
"Pd"
] | 5
|
A2BCD
|
BeGeHf2Pd
|
Hf2 Be1 Ge1 Pd1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.00346982,
0,
0
],
[
0,
3.91850175,
0
],
[
0,
0,
5.00346982
]
] |
agm001542949
|
[
[
0,
1.959250875,
0
],
[
0,
0,
0
],
[
0,
0,
2.50173491
],
[
2.50173491,
0,
0
],
[
2.50173491,
1.959250875,
2.50173491
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Be",
"Ge",
"Hf",
"Hf",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
2.4068496,
0,
0
],
[
0,
2.8338983,
0
],
[
0,
0,
2.4068496
]
] | -31.891978
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0
| 2.081821
|
pbe
| true
|
a842118e984317017910912eb3cf0d54_123_Hf2Be1Ge1Pd1
|
[
"Be",
"Ge",
"Mo",
"W"
] | 5
|
A2BCD
|
BeGeMo2W
|
Be1 Ge1 Mo2 W1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.79168668,
0,
0
],
[
0,
4.28650197,
0
],
[
0,
0,
4.79168668
]
] |
agm001461054
|
[
[
0,
2.143250985,
0
],
[
0,
0,
2.39584334
],
[
2.39584334,
0,
0
],
[
2.39584334,
2.143250985,
2.39584334
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Be",
"Mo",
"Mo",
"Ge",
"W"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
-0.9308288,
0,
0
],
[
0,
0.31736767,
0
],
[
0,
0,
-0.9308288
]
] | -34.645865
|
[
-0.005,
0.418,
0.662,
-0.003,
-0.051
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.164552
| 6.576971
|
pbe
| true
|
75623359bb2ae919603ea9e097dcc21f_123_Be1Ge1Mo2W1
|
[
"Be",
"H",
"N",
"Te"
] | 5
|
A2BCD
|
BeHN2Te
|
Be1 Te1 H1 N2
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.95949118,
0,
0
],
[
0,
3.95949118,
0
],
[
0,
0,
3.421622
]
] |
agm001737978
|
[
[
1.97974559,
1.97974559,
1.710811
],
[
0,
0,
1.710811
],
[
0,
0,
0
],
[
0,
1.97974559,
0
],
[
1.97974559,
0,
0
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Be",
"Te",
"H",
"N",
"N"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
0.8962352,
0,
0
],
[
0,
0.8962352,
0
],
[
0,
0,
0.12945874
]
] | -16.60361
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000023
| 2.786637
|
pbe
| true
|
97ff86b8365677675868a5b0654b5cfb_123_Be1Te1H1N2
|
[
"Be",
"H",
"Pt",
"Rb"
] | 9
|
A6BCD
|
BeH6PtRb
|
Rb1 Be1 H6 Pt1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.44363318,
-0.00002363,
-0.00004256
],
[
2.22182889,
3.8483151,
0.00000387
],
[
0.00005054,
-0.00019134,
6.00881304
]
] |
agm005096259
|
[
[
4.443540923513776,
-0.00019707303952359997,
6.008723973271683
],
[
4.443622924425115,
2.5654745151036074,
3.004337884526473
],
[
5.306139597069812,
1.5428595383844093,
2.0043098352713375
],
[
3.98920292168732,
3.823740429699793,
4.00432498862746
],
[
3.581057211143433,
1.542787900032031,
4.004340129270733
],
[
5.76045328326957,
2.329650450187277,
4.004303066766082
],
[
3.126669569399836,
2.329891235102726,
2.0043053884470527
],
[
4.897856827684102,
3.8237769643987054,
2.0042975266019134
],
[
2.2217132505978383,
1.282685844854476,
3.004351563028714
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Rb",
"Be",
"H",
"H",
"H",
"H",
"H",
"H",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
0.6666666666666666,
0.1111111111111111,
0.1111111111111111
] |
[
[
4.140684,
-0.0193617,
-0.00047765
],
[
-0.01936165,
4.1407228,
0.02482737
],
[
-0.00047769,
0.02482755,
4.1270356
]
] | -32.161749
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00000124,
0.00000635,
-0.00001828
],
[
-0.00052629,
-0.00006035,
-0.00024986
],
[
0.00192246,
-0.00033616,
0.00531349
],
[
0.00096807,
0.00213486,
-0.0054886
],
[
-0.00256375,
-0.0001805,
-0.00578933
],
[
0.00110189,
-0.00115564,
-0.004942
],
[
-0.00159268,
-0.00258013,
0.00628256
],
[
-0.00084514,
0.0020664,
0.00563102
],
[
0.00153419,
0.00010517,
-0.00073899
]
] | -0
| 0.567763
|
pbe
| true
|
164fc644b63a5af007ef2ed87f1b10e9_149_Rb1Be1H6Pt1
|
[
"Be",
"Hg",
"K",
"Pt"
] | 5
|
A2BCD
|
BeHg2KPt
|
K1 Be1 Hg2 Pt1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.99781755,
0,
0
],
[
0,
4.49212665,
0
],
[
0,
0,
4.99781755
]
] |
agm001487216
|
[
[
0,
0,
0
],
[
2.498908775,
2.246063325,
2.498908775
],
[
0,
0,
2.498908775
],
[
2.498908775,
0,
0
],
[
0,
2.246063325,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Be",
"K",
"Hg",
"Hg",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
1.3924145,
0,
0
],
[
0,
1.542891,
0
],
[
0,
0,
1.3924145
]
] | -11.567589
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0
| 1.841488
|
pbe
| true
|
aed24d8addf8494cfb44fff8a8c44fdf_123_K1Be1Hg2Pt1
|
[
"Be",
"I",
"Na",
"Ni"
] | 5
|
A2BCD
|
BeI2NaNi
|
Na1 Be1 Ni1 I2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.80158829,
0,
0
],
[
0,
4.98918723,
0
],
[
0,
0,
5.80158829
]
] |
agm001459989
|
[
[
0,
0,
2.900794145
],
[
2.900794145,
0,
0
],
[
0,
2.494593615,
0
],
[
2.900794145,
2.494593615,
2.900794145
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
"I",
"Ni",
"Be",
"Na"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
-1.1371256,
0,
0
],
[
0,
-0.7868704,
0
],
[
0,
0,
-1.1371256
]
] | -8.431271
|
[
0.047,
0.037,
0.773,
0.16,
-0.009
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.284565
| 7.222952
|
pbe
| true
|
c3316cb67b32e785b9bade6d37e4fe98_123_Na1Be1Ni1I2
|
[
"Be",
"I",
"Sb",
"Zn"
] | 5
|
A2BCD
|
BeI2SbZn
|
Be1 Zn1 Sb1 I2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.38656914,
0,
0
],
[
0,
5.38656914,
0
],
[
0,
0,
4.9426293
]
] |
agm001710270
|
[
[
0,
2.69328457,
0
],
[
2.69328457,
0,
0
],
[
0,
0,
2.47131465
],
[
2.69328457,
2.69328457,
2.47131465
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"I",
"I",
"Sb",
"Zn",
"Be"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
1.1326712,
0,
0
],
[
0,
1.1326712,
0
],
[
0,
0,
0.57756686
]
] | -10.164535
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002
| 3.142835
|
pbe
| true
|
c3b3b6426a646c959ba0896870c9034e_123_Be1Zn1Sb1I2
|
[
"Be",
"In",
"Sr",
"V"
] | 5
|
A2BCD
|
BeInSrV2
|
Sr1 Be1 V2 In1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.17981403,
0,
0
],
[
0,
5.99387848,
0
],
[
0,
0,
5.17981403
]
] |
agm001510968
|
[
[
0,
2.99693924,
0
],
[
0,
0,
2.589907015
],
[
2.589907015,
0,
0
],
[
2.589907015,
2.99693924,
2.589907015
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Sr",
"V",
"V",
"Be",
"In"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
3.3166842,
0,
0
],
[
0,
0.90743625,
0
],
[
0,
0,
3.3166842
]
] | -18.539312
|
[
0.013,
2.733,
2.672,
0.034,
-0.039
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.081696
| 7.213472
|
pbe
| true
|
059e6b3ff58244be3342007886f2ffa9_123_Sr1Be1V2In1
|
[
"Be",
"Ir",
"Pr",
"Pt"
] | 8
|
A4B2CD
|
Be4Ir2PrPt
|
Pr1 Be4 Ir2 Pt1
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.94241516,
0,
0
],
[
1.97120758,
3.41423168,
0
],
[
1.97120757,
1.13807722,
8.37833398
]
] |
agm004790671
|
[
[
0,
0,
0
],
[
3.9424151720458216,
2.2761544596032697,
6.423043638751093
],
[
5.913622736106984,
3.4142316774046564,
3.26169806969831
],
[
1.971207573893015,
1.1380772225953433,
5.1166359103016905
],
[
3.9424151379541783,
2.27615444039673,
1.955290341248908
],
[
5.913622713146114,
3.414231663858021,
5.98364702395372
],
[
1.9712075968538858,
1.138077236141979,
2.3946869560462805
],
[
3.942415155,
2.27615445,
4.18916699
]
] |
[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Pr",
"Be",
"Be",
"Be",
"Be",
"Ir",
"Ir",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.125,
0.125
] |
[
[
-0.16472962,
0,
0
],
[
0,
-0.16472962,
0
],
[
0,
0,
-0.01388984
]
] | -47.723635
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.00170404
],
[
0,
0,
0.00810422
],
[
0,
0,
-0.00810422
],
[
0,
0,
0.00170404
],
[
0,
0,
-0.00194605
],
[
0,
0,
0.00194605
],
[
0,
0,
0
]
] | -0.000002
| 3.020902
|
pbe
| true
|
44f9a897664a73c9ae5568ca98a3c4a2_166_Pr1Be4Ir2Pt1
|
[
"Be",
"Ir",
"Ta",
"Zn"
] | 4
|
ABCD
|
BeIrTaZn
|
Ta1 Be1 Zn1 Ir1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.30472985,
0,
0
],
[
2.15236493,
3.72800541,
0
],
[
2.15236493,
1.24266847,
3.51479721
]
] |
agm001367661
|
[
[
6.4570947825,
3.72800541,
2.6360979075
],
[
0,
0,
0
],
[
2.1523649275,
1.24266847,
0.8786993025
],
[
4.304729855,
2.48533694,
1.757398605
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Be",
"Zn",
"Ir",
"Ta"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
1.7913685,
0,
0
],
[
0,
1.7913685,
0
],
[
0,
0,
1.7913685
]
] | -26.773889
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001
| 0.022728
|
pbe
| true
|
cdc7dd270b8725b4a30c01257ce885dc_216_Ta1Be1Zn1Ir1
|
[
"Be",
"La",
"Rh",
"Tc"
] | 5
|
A2BCD
|
Be2LaRhTc
|
La1 Be2 Tc1 Rh1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.68103087,
0,
0
],
[
0,
4.67343706,
0
],
[
0,
0,
4.68103087
]
] |
agm001429876
|
[
[
0,
0,
2.340515435
],
[
2.340515435,
0,
0
],
[
0,
2.33671853,
0
],
[
2.340515435,
2.33671853,
2.340515435
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Be",
"Be",
"Rh",
"Tc",
"La"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
2.3669884,
0,
0
],
[
0,
-0.6214903,
0
],
[
0,
0,
2.3669884
]
] | -19.219028
|
[
-0.021,
-0.024,
-0.051,
0.306,
-0.051
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.125101
| 10.009556
|
pbe
| true
|
ff5fba55100c8d29879a78c7e710c11b_123_La1Be2Tc1Rh1
|
[
"Be",
"Li",
"N",
"S"
] | 5
|
A2BCD
|
BeLiN2S
|
Li1 Be1 S1 N2
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.3970355,
0,
0
],
[
0,
3.3970355,
0
],
[
0,
0,
5.51568024
]
] |
agm001730641
|
[
[
1.69851775,
1.69851775,
2.75784012
],
[
0,
0,
2.75784012
],
[
0,
0,
0
],
[
0,
1.69851775,
0
],
[
1.69851775,
0,
0
]
] |
[{"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": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Be",
"S",
"Li",
"N",
"N"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
0.73580086,
0,
0
],
[
0,
0.73580086,
0
],
[
0,
0,
0.850239
]
] | -18.187384
|
[
-0.011,
0.206,
0.013,
0.675,
0.675
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.198219
| 1.701881
|
pbe
| true
|
744a11bb51a3b09f4b0764d787c9ff17_123_Li1Be1S1N2
|
[
"Be",
"Mn",
"Pu",
"Si"
] | 10
|
A4B3C2D
|
Be3MnPu2Si4
|
Pu2 Mn1 Be3 Si4
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.86303186,
0,
0
],
[
0,
3.86303186,
0
],
[
0,
0,
9.831744
]
] |
agm004522729
|
[
[
1.93151593,
0,
2.3284081802592
],
[
0,
1.93151593,
7.5033358197407996
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[
1.93151593,
1.93151593,
4.915872
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[
0,
0,
4.915872
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[
1.93151593,
0,
8.56783142557056
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[
0,
1.93151593,
1.2639125744294402
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[
1.93151593,
1.93151593,
0
],
[
0,
0,
0
],
[
1.93151593,
0,
6.296031969327361
],
[
0,
1.93151593,
3.53571203067264
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Pu",
"Pu",
"Mn",
"Be",
"Be",
"Be",
"Si",
"Si",
"Si",
"Si"
] |
2023-11-16 06:57:59
|
[
0.3,
0.1,
0.2,
0.4
] |
[
[
1.5756965,
0,
0
],
[
0,
1.5756965,
0
],
[
0,
0,
1.4446269
]
] | -73.93269
|
[
5.094,
5.094,
2.341,
-0.038,
-0.016,
-0.016,
-0.024,
-0.029,
-0.057,
-0.057
] |
[
[
0,
0,
0.00726927
],
[
0,
0,
-0.00726927
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.01033709
],
[
0,
0,
-0.01033709
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00644766
],
[
0,
0,
0.00644766
]
] | 13.092086
| 17.294287
|
pbe
| true
|
632547a35d6ff2ceadc47ad4aca8814c_115_Pu2Mn1Be3Si4
|
[
"Be",
"Mo",
"N",
"Se"
] | 5
|
A2BCD
|
BeMoNSe2
|
Be1 Mo1 Se2 N1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.04954621,
0,
0
],
[
0,
5.04954621,
0
],
[
0,
0,
3.76560033
]
] |
agm001794274
|
[
[
2.524773105,
2.524773105,
1.882800165
],
[
0,
0,
0
],
[
0,
2.524773105,
0
],
[
2.524773105,
0,
0
],
[
0,
0,
1.882800165
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Be",
"Mo",
"Se",
"Se",
"N"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.2512784,
0,
0
],
[
0,
0.2512784,
0
],
[
0,
0,
0.2452715
]
] | -27.069367
|
[
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
| 2.367817
|
pbe
| true
|
e6fde5abac527892433ab90745a24422_123_Be1Mo1Se2N1
|
[
"Be",
"Mo",
"Ru",
"Zr"
] | 20
|
A5B2C2D
|
Be2MoRu5Zr2
|
Zr4 Be4 Mo2 Ru10
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.18386152,
0,
0
],
[
0,
9.49996654,
0
],
[
0,
0,
9.49996654
]
] |
agm005134950
|
[
[
0,
6.39881646261548,
1.64883319261548
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[
0,
3.10115007738452,
7.851133347384521
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[
0,
1.64883319261548,
3.10115007738452
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[
0,
7.851133347384521,
6.39881646261548
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[
0,
1.1517922832520489,
5.901775553252049
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[
0,
8.348174256747951,
3.5981909867479516
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[
0,
5.901775553252049,
8.348174256747951
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[
0,
3.5981909867479516,
1.1517922832520489
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[
0,
0,
0
],
[
0,
4.74998327,
4.74998327
],
[
1.59193076,
1.9788284003335286,
0.6702770742052743
],
[
1.59193076,
7.521138139666473,
8.829689465794726
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[
1.59193076,
0.6702770742052743,
7.521138139666473
],
[
1.59193076,
6.728811670333529,
4.079706195794726
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[
1.59193076,
8.829689465794726,
1.9788284003335286
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[
1.59193076,
2.771154869666472,
5.420260344205275
],
[
1.59193076,
5.420260344205275,
6.728811670333529
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[
1.59193076,
4.079706195794726,
2.771154869666472
],
[
1.59193076,
4.74998327,
0
],
[
1.59193076,
0,
4.74998327
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
|
[
"Zr",
"Zr",
"Zr",
"Zr",
"Be",
"Be",
"Be",
"Be",
"Mo",
"Mo",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru"
] |
2023-11-16 06:57:59
|
[
0.2,
0.1,
0.5,
0.2
] |
[
[
0.87611943,
0,
0
],
[
0,
1.0789784,
0
],
[
0,
0,
1.0789784
]
] | -172.244939
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0.0016182,
0.0016182
],
[
0,
-0.0016182,
-0.0016182
],
[
0,
0.0016182,
-0.0016182
],
[
0,
-0.0016182,
0.0016182
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[
0,
-0.00148431,
-0.00148431
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[
0,
0.00148431,
0.00148431
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[
0,
-0.00148431,
0.00148431
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[
0,
0.00148431,
-0.00148431
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0.00314711,
0.00234634
],
[
0,
-0.00314711,
-0.00234634
],
[
0,
0.00234634,
-0.00314711
],
[
0,
0.00314711,
-0.00234634
],
[
0,
-0.00234634,
0.00314711
],
[
0,
-0.00314711,
0.00234634
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[
0,
0.00234634,
0.00314711
],
[
0,
-0.00234634,
-0.00314711
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 11.541553
|
pbe
| true
|
662c9af939088edf2ef9c1b8fc883f1a_127_Zr4Be4Mo2Ru10
|
[
"Be",
"S",
"Te",
"Zn"
] | 12
|
ABCD
|
BeSTeZn
|
Be3 Zn3 Te3 S3
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.93867017,
0,
0
],
[
-1.96933509,
3.41098843,
0
],
[
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agm002040449
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[
"Be",
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2023-11-16 06:57:59
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[
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| -0.000516
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pbe
| true
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c916c7ce1cfa26d7cb67c4b925b39ebb_160_Be3Zn3Te3S3
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[
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A4B3C2D
|
BeNi3Si4Tm2
|
Tm2 Be1 Si4 Ni3
| 4
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agm004521064
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[
"Tm",
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2023-11-16 06:57:59
|
[
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[
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| 4.457547
|
pbe
| true
|
b49a17c4d1b081aa986ce30640cc2196_115_Tm2Be1Si4Ni3
|
[
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A2BCD
|
BeNi2PbRe
|
Be1 Re1 Ni2 Pb1
| 4
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[
1,
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1
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[
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agm001498378
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[
"Pb",
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2023-11-16 06:57:59
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[
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pbe
| true
|
6b20f8e62462e5265536831b7798cc73_123_Be1Re1Ni2Pb1
|
[
"Be",
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|
A2BCD
|
BeO2PSn
|
Be1 Sn1 P1 O2
| 4
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[
1,
1,
1
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[
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agm001752426
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|
[
"P",
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2023-11-16 06:57:59
|
[
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0.2
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[
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[
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| 3.559982
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pbe
| true
|
f43aa949eef6aaf8ff5b71f51f585834_123_Be1Sn1P1O2
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[
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A7B2C2D
|
Be2O7SiYb2
|
Yb4 Be4 Si2 O14
| 4
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[
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1
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[
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agm005218267
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|
[
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2023-11-16 06:57:59
|
[
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| 41.821598
|
pbe
| true
|
be7dc06058ce08d9069bf959edd52eea_113_Yb4Be4Si2O14
|
[
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|
A2BCD
|
BePS2Zr
|
Zr1 Be1 P1 S2
| 4
|
[
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1
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[
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4.34052257,
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agm001775453
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|
[
"P",
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2023-11-16 06:57:59
|
[
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0.2
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[
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[
0,
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[
0,
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| 2.616339
|
pbe
| true
|
4680a65fe31038e07f6b9415c49efd94_123_Zr1Be1P1S2
|
[
"Be",
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"Tl",
"Zn"
] | 5
|
A2BCD
|
BeSe2TlZn
|
Be1 Tl1 Zn1 Se2
| 4
|
[
1,
1,
1
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|
[
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5.47371297,
0,
0
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[
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5.13224342,
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agm001463687
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Be",
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2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
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[
[
1.4688995,
0,
0
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[
0,
0.49298218,
0
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[
0,
0,
1.4688995
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[
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[
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[
0,
0,
0
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[
0,
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0
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| 4.429979
|
pbe
| true
|
55a6d736613f73941915b8132bfa0794_123_Be1Tl1Zn1Se2
|
[
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] | 5
|
A2BCD
|
BiBrCIn2
|
In2 Bi1 C1 Br1
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.35722004,
0,
0
],
[
0,
4.36711739,
0
],
[
0,
0,
6.35722004
]
] |
agm001441667
|
[
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0,
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0
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[
0,
0,
0
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[
3.17861002,
2.183558695,
3.17861002
],
[
0,
0,
3.17861002
],
[
3.17861002,
0,
0
]
] |
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
|
[
"C",
"Bi",
"Br",
"In",
"In"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
-0.6184272,
0,
0
],
[
0,
-2.07355,
0
],
[
0,
0,
-0.6184272
]
] | -15.556713
|
[
0,
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,
0,
0
]
] | 0.000044
| 2.302904
|
pbe
| true
|
d12d80171438e1ebe7ba0b5b185f3a74_123_In2Bi1C1Br1
|
[
"Bi",
"C",
"Os",
"V"
] | 5
|
A2BCD
|
BiCOs2V
|
V1 Bi1 Os2 C1
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.99910674,
0,
0
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[
0,
4.9918844,
0
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[
0,
0,
3.99910674
]
] |
agm001554655
|
[
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0,
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0
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[
0,
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[
1.99955337,
0,
0
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[
0,
2.4959422,
0
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[
1.99955337,
2.4959422,
1.99955337
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"C",
"Os",
"Os",
"Bi",
"V"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
-0.6228713,
0,
0
],
[
0,
2.96522,
0
],
[
0,
0,
-0.6228713
]
] | -39.865702
|
[
0,
0,
0,
0,
-0.003
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.001708
| 5.502016
|
pbe
| true
|
5476679fc78f1d85187ba6456ef32419_123_V1Bi1Os2C1
|
[
"Bi",
"C",
"Pm",
"Sm"
] | 5
|
A2BCD
|
BiCPmSm2
|
Pm1 Sm2 Bi1 C1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.0873174,
0,
0
],
[
0,
5.05125026,
0
],
[
0,
0,
5.05125026
]
] |
agm005013618
|
[
[
2.5436587,
0,
0
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[
0,
0,
2.52562513
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[
0,
2.52562513,
0
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[
2.5436587,
2.52562513,
2.52562513
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
|
[
"Pm",
"Sm",
"Sm",
"Bi",
"C"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.09745272,
0,
0
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[
0,
0.05625678,
0
],
[
0,
0,
0.05625678
]
] | -29.68161
|
[
0,
0,
0,
0,
0
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[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000032
| 3.172782
|
pbe
| true
|
c4dcaa423618f873241f52a83372f959_123_Pm1Sm2Bi1C1
|
[
"Bi",
"C",
"Sc",
"Si"
] | 14
|
A4BCD
|
BiCSc4Si
|
Sc8 Si2 Bi2 C2
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.25475713,
0,
0
],
[
0,
6.26806895,
0
],
[
-3.12737856,
0,
7.30913533
]
] |
agm005057287
|
[
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6.040302766369105
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[
3.526896556828589e-8,
4.7010517125,
5.840262184450527
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[
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[
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3.654567665
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[
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1.5670172375,
1.6645065381381212
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[
3.127378600135138,
4.7010517125,
5.644628791861878
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[
3.127378534729715,
4.7010517125,
1.466944410918593
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[
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1.5670172375,
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[
2.451625288616669e-9,
4.7010517125,
3.5838523654130765
],
[
3.127378567548374,
1.5670172375,
3.725282964586924
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
|
[
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Si",
"Si",
"Bi",
"Bi",
"C",
"C"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.14285714285714285,
0.5714285714285714,
0.14285714285714285
] |
[
[
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0,
0
],
[
0,
-0.00794659,
0
],
[
0,
0,
0.17343017
]
] | -97.002962
|
[
0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
[
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[
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0.00238212
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[
0,
0,
0.00208236
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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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[
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[
0,
0,
0.00284025
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[
0,
0,
-0.00149038
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[
0,
0,
0.00149038
]
] | -0.000868
| 8.965014
|
pbe
| true
|
77c31da5df9a39f38500436625c830ef_63_Sc8Si2Bi2C2
|
[
"Bi",
"Ca",
"F",
"Sr"
] | 11
|
A4B3C2D2
|
Bi3Ca4F2Sr2
|
Sr2 Ca4 Bi3 F2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.92133815,
0,
0
],
[
0,
4.92133815,
0
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[
-2.46066908,
-2.46066907,
13.2175749
]
] |
agm004489994
|
[
[
0.0000024822685981787233,
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7.9494924657949
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[
2.4606665877314025,
2.460671513055217,
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11.084260690303482
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2.4606666151379244,
2.1333142096965183
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[
2.4606715348620756,
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2.1333142096965183
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[
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0,
0
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[
0.0000024589779690929217,
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4.470463515064885
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[
2.4606666110220314,
2.4606715389779694,
8.747111384935117
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[
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10.845155949944223
],
[
2.4606690987092423,
2.4606691005041395,
2.372418950055777
]
] |
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Sr",
"Ca",
"Ca",
"Ca",
"Ca",
"Bi",
"Bi",
"Bi",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.2727272727272727,
0.36363636363636365,
0.18181818181818182,
0.18181818181818182
] |
[
[
0.48449793,
0,
0
],
[
0,
0.48449793,
0
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[
0,
0,
0.546498
]
] | -44.712451
|
[
0.035,
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0.013,
0.013,
0.013,
0.013,
-0.002,
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0.001,
0.001
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[
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0,
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[
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[
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[
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0.00227696
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[
0,
0,
-0.00227696
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[
0,
0,
0.00568783
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[
0,
0,
-0.00568783
]
] | 0.443731
| 4.914292
|
pbe
| true
|
849550e8f697093b3052047a57e0c4a4_139_Sr2Ca4Bi3F2
|
[
"Bi",
"Cd",
"Ir",
"Tl"
] | 5
|
A2BCD
|
BiCd2IrTl
|
Tl1 Cd2 Bi1 Ir1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.31388113,
0,
0
],
[
0,
5.31388113,
0
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[
0,
0,
5.18256769
]
] |
agm001641140
|
[
[
2.656940565,
2.656940565,
2.591283845
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[
0,
0,
0
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[
0,
0,
2.591283845
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[
0,
2.656940565,
0
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[
2.656940565,
0,
0
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Tl",
"Ir",
"Bi",
"Cd",
"Cd"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
3.748909,
0,
0
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[
0,
3.748909,
0
],
[
0,
0,
3.9809349
]
] | -16.109112
|
[
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
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000043
| 3.352671
|
pbe
| true
|
b6f59ef164e28c238ad244674679f06a_123_Tl1Cd2Bi1Ir1
|
[
"Bi",
"Cl",
"Na",
"P"
] | 5
|
A2BCD
|
BiCl2NaP
|
Na1 Bi1 P1 Cl2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.80536944,
0,
0
],
[
0,
4.80536944,
0
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[
0,
0,
5.59412795
]
] |
agm001689008
|
[
[
0,
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2.797063975
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[
0,
0,
0
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[
2.40268472,
2.40268472,
2.797063975
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[
0,
2.40268472,
0
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[
2.40268472,
0,
0
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"Na",
"Bi",
"Cl",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
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0,
0
],
[
0,
-0.04503506,
0
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[
0,
0,
0.1533571
]
] | -14.330586
|
[
0.531,
0.011,
-0.23,
0.051,
0.051
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.00974
| 1.23503
|
pbe
| true
|
b0491964d52c1866d9f1b14ed9f84605_123_Na1Bi1P1Cl2
|
[
"Bi",
"Cl",
"P",
"Pm"
] | 12
|
A3BCD
|
BiClPPm3
|
Pm6 Bi2 P2 Cl2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.28425269,
0,
0
],
[
0,
8.66944075,
0.60916804
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[
0,
-2.72808906,
9.16530915
]
] |
agm005040540
|
[
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3.2131895175,
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5.353347220296875
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[
3.2131895175,
6.536322771553216,
4.4211299697031246
]
] |
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Bi",
"Bi",
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"Cl",
"Cl"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.5
] |
[
[
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0,
0
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[
0,
0.3349328,
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[
0,
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]
] | -65.679781
|
[
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0.051,
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0.002,
0.002,
-0.001,
-0.001,
0.007,
0.007
] |
[
[
0,
0.00464439,
0.00016759
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0,
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0.00128323
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[
0,
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[
0,
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[
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[
0,
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[
0,
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0.0012716
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[
0,
-0.00111289,
-0.00213003
],
[
0,
0.00111289,
0.00213003
]
] | 1.379544
| 6.088042
|
pbe
| true
|
9a8119d3c03b5bafe60dceabd14d76f2_11_Pm6Bi2P2Cl2
|
[
"Bi",
"Co",
"Ir",
"Sr"
] | 5
|
A2BCD
|
BiCoIr2Sr
|
Sr1 Co1 Bi1 Ir2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.03201056,
0,
0
],
[
0,
5.96748892,
0
],
[
0,
0,
5.03201056
]
] |
agm001469423
|
[
[
0,
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0
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[
0,
0,
2.51600528
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[
2.51600528,
0,
0
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[
2.51600528,
2.98374446,
2.51600528
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[
0,
0,
0
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Ir",
"Ir",
"Co",
"Bi"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
1.3249846,
0,
0
],
[
0,
0.8609731,
0
],
[
0,
0,
1.3249846
]
] | -21.730289
|
[
-0.027,
-0.224,
-0.248,
2.099,
-0.01
] |
[
[
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
]
] | 1.490044
| 9.739426
|
pbe
| true
|
fd8573bff7ce66d4b7e9ab0bec421354_123_Sr1Co1Bi1Ir2
|
[
"Bi",
"Co",
"Li",
"N"
] | 5
|
A2BCD
|
BiCo2LiN
|
Li1 Co2 Bi1 N1
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.97462687,
0,
0
],
[
0,
4.78112547,
0
],
[
0,
0,
3.97462687
]
] |
agm001541732
|
[
[
0,
0,
0
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[
0,
0,
1.987313435
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[
1.987313435,
0,
0
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[
0,
2.390562735,
0
],
[
1.987313435,
2.390562735,
1.987313435
]
] |
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Li",
"Co",
"Co",
"Bi",
"N"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
0.28601074,
0,
0
],
[
0,
-2.0519738,
0
],
[
0,
0,
0.28601074
]
] | -19.767607
|
[
-0.07,
1.511,
1.554,
-0.05,
0.198
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[
[
0,
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0
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[
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0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.214851
| 6.680668
|
pbe
| true
|
e5c677f1818bad1dda79328dcfa610d0_123_Li1Co2Bi1N1
|
[
"Bi",
"Co",
"Np",
"O"
] | 18
|
A6BCD
|
BiCoNpO6
|
Np2 Co2 Bi2 O12
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.22681549,
0,
0
],
[
-2.61340775,
4.526555,
0
],
[
0,
0,
10.26492971
]
] |
agm005083133
|
[
[
2.6134077694674107,
1.50885165157815,
2.5662324275
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[
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3.01770334842185,
7.6986972825
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3.01770334842185,
2.5662324275
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2.6134077694674107,
1.50885165157815,
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6.586966182875508
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[
1.017489038052748,
1.58855686157795,
8.810428382124494
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
|
[
"Np",
"Np",
"Co",
"Co",
"Bi",
"Bi",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
0.1111111111111111,
0.1111111111111111,
0.6666666666666666
] |
[
[
0.7625752,
0,
0
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[
0,
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0
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[
0,
0,
1.2108755
]
] | -136.090091
|
[
1.236,
1.236,
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-0.007,
-0.005,
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-0.037,
-0.037,
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-0.037,
-0.037,
-0.037,
-0.037,
-0.037,
-0.037,
-0.037,
-0.037,
-0.037
] |
[
[
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[
0,
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0
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[
0,
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[
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0,
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[
-0.00081753,
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0.00231994
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[
-0.00035315,
0.00074011,
-0.00231994
]
] | 2.000005
| -0.316923
|
pbe
| true
|
1a512e0344447ab7b20a54b86271ff99_163_Np2Co2Bi2O12
|
[
"Bi",
"Cr",
"N",
"Te"
] | 5
|
A2BCD
|
BiCrN2Te
|
Cr1 Bi1 Te1 N2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.07830904,
0,
0
],
[
0,
4.07830904,
0
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[
0,
0,
5.49698462
]
] |
agm001737463
|
[
[
0,
0,
0
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[
0,
0,
2.74849231
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[
2.03915452,
2.03915452,
2.74849231
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[
0,
2.03915452,
0
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[
2.03915452,
0,
0
]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Cr",
"Te",
"Bi",
"N",
"N"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
0.46311972,
0,
0
],
[
0,
0.46311972,
0
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[
0,
0,
0.80858076
]
] | -29.061398
|
[
2.259,
-0.076,
0.337,
-0.701,
-0.701
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0.822637
| 0.990862
|
pbe
| true
|
5bec72605ae34bf182b56649988bc5a6_123_Cr1Bi1Te1N2
|
[
"Bi",
"Cr",
"Mo",
"Re"
] | 5
|
A2BCD
|
BiCrMoRe2
|
Cr1 Re2 Bi1 Mo1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.73601443,
0,
0
],
[
0,
5.14336703,
0
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[
0,
0,
4.73601443
]
] |
agm001435314
|
[
[
0,
0,
2.368007215
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[
2.368007215,
0,
0
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[
0,
0,
0
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[
0,
2.571683515,
0
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[
2.368007215,
2.571683515,
2.368007215
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Re",
"Mo",
"Bi",
"Cr"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
3.4022381,
0,
0
],
[
0,
3.6315706,
0
],
[
0,
0,
3.4022381
]
] | -37.279486
|
[
0.555,
0.585,
-0.093,
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-0.088
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[
[
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0
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[
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0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 1.041674
| 6.387456
|
pbe
| true
|
5f1cb97d9d04f8079fa0da84cdc4fa2c_123_Cr1Re2Bi1Mo1
|
[
"Bi",
"Cs",
"S",
"V"
] | 14
|
A4BCD
|
BiCsS4V
|
Cs2 V2 Bi2 S8
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.67124361,
0,
-0.15472677
],
[
0,
7.09695957,
0
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[
-2.8155745,
0,
9.05863466
]
] |
agm005054532
|
[
[
2.1670613350037837,
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[
1.6886077749962165,
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4.6909386016972245,
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5.3227196775,
5.003391069463397
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[
2.5825637848313274,
1.7742398925,
3.9005168205366028
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
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"V",
"V",
"Bi",
"Bi",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.14285714285714285,
0.5714285714285714,
0.14285714285714285
] |
[
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0,
0.01466636
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[
0,
0.43920308,
0
],
[
0.0146663,
0,
0.45472556
]
] | -71.507345
|
[
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0.89,
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0.136,
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-0.025
] |
[
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0.00432073,
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0.00422637,
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[
-0.00037865,
0,
-0.00468904
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[
0.00037865,
0,
0.00468904
]
] | 2.012498
| 5.271621
|
pbe
| true
|
159ef7a54dff392de21d421a448b3ab4_11_Cs2V2Bi2S8
|
[
"Bi",
"Cu",
"H",
"Sn"
] | 5
|
A2BCD
|
BiCuHSn2
|
Cu1 Sn2 Bi1 H1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.70772954,
0,
0
],
[
0,
5.70772954,
0
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[
0,
0,
3.32381214
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] |
agm001667936
|
[
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1.66190607
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[
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0,
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[
0,
2.85386477,
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[
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0,
0
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"H",
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"Cu",
"Sn",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
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0,
0
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[
0,
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0
],
[
0,
0,
-1.7494602
]
] | -18.27282
|
[
0,
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0
] |
[
[
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0
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[
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[
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 3.121538
|
pbe
| true
|
3befbe9c8b49a07f1f6d1efd7da41e08_123_Cu1Sn2Bi1H1
|
[
"Bi",
"Cu",
"Ir",
"Os"
] | 5
|
A2BCD
|
BiCuIrOs2
|
Cu1 Bi1 Ir1 Os2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.7344079,
0,
0
],
[
0,
5.34413581,
0
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[
0,
0,
4.7344079
]
] |
agm001461864
|
[
[
0,
0,
0
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[
0,
0,
2.36720395
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[
2.36720395,
0,
0
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[
0,
2.672067905,
0
],
[
2.36720395,
2.672067905,
2.36720395
]
] |
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Ir",
"Os",
"Os",
"Bi",
"Cu"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
-2.19839,
0,
0
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[
0,
1.0479696,
0
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[
0,
0,
-2.19839
]
] | -29.121783
|
[
-0.017,
0.192,
0.142,
0.002,
0.009
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[
[
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0
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.343469
| 5.863439
|
pbe
| true
|
0edfb878488fdedfe495704dcb7c8741_123_Cu1Bi1Ir1Os2
|
[
"Bi",
"Cu",
"Mn",
"Se"
] | 18
|
A5B2CD
|
Bi2CuMnSe5
|
Mn2 Cu2 Bi4 Se10
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.01233579,
0,
0
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[
-2.00616789,
9.18373673,
0
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[
0,
0,
12.24702875
]
] |
agm005155850
|
[
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5.580597910389592,
6.2554775794247
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1.9616953856755145e-9,
3.6031388196104084,
0.1319632044247
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11.734448956914749
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7.631050442747222,
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9.532809906269101
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8.359350436613413
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10.624770788286186
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2.0061678750345706,
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9.72514557373865
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[
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5.419759731054511,
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2.9752476251232186e-9,
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2.0061678769875835,
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1.9199210157202626
],
[
5.852686013247151e-10,
1.0749905477471355,
0.702079783518025
]
] |
[{"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": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Mn",
"Mn",
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"Cu",
"Bi",
"Bi",
"Bi",
"Bi",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.2222222222222222,
0.1111111111111111,
0.1111111111111111,
0.5555555555555556
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[
[
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[
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0
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[
0,
0,
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]
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[
3.718,
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0.045,
0.069,
0.045,
0.069,
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0.011,
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0.011,
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[
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0,
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0,
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0,
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0,
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0.00372202
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[
0,
0.00048453,
0.00394496
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[
0,
0.00071487,
0.00385358
]
] | 7.988695
| 5.090745
|
pbe
| true
|
fd95c508a8faa56c180a13b2da481f50_36_Mn2Cu2Bi4Se10
|
[
"Bi",
"Dy",
"Er",
"Tm"
] | 8
|
A4B2CD
|
Bi4DyErTm2
|
Dy1 Er1 Tm2 Bi4
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.4477268,
0,
0
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[
0,
7.69543925,
0.13347577
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[
0,
-2.69017622,
7.21132809
]
] |
agm004849971
|
[
[
0,
0,
0
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[
2.2238634,
3.847719625,
0.066737885
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[
2.2238634,
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3.605664045
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[
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2.502631515,
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[
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1.854591086138429
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[
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5.490212773861572
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[
0,
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5.428020826838744
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[
0,
5.091449126885757,
1.9167830331612554
]
] |
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
|
[
"Dy",
"Er",
"Tm",
"Tm",
"Bi",
"Bi",
"Bi",
"Bi"
] |
2023-11-16 06:57:59
|
[
0.5,
0.125,
0.125,
0.25
] |
[
[
1.735799,
0,
0
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[
0,
1.7282069,
-0.0037579
],
[
0,
-0.00375791,
1.6801914
]
] | -40.098057
|
[
0,
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0,
0,
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0,
0,
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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0.0000679
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[
0,
0.00037959,
0.00456567
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[
0,
-0.00037959,
-0.00456567
]
] | -0
| 1.241512
|
pbe
| true
|
2414aa0f8a1c08a6fdcd9fd696a73535_10_Dy1Er1Tm2Bi4
|
[
"Bi",
"Er",
"Mg",
"Tl"
] | 4
|
ABCD
|
BiErMgTl
|
Er1 Mg1 Tl1 Bi1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.35852486,
0,
0
],
[
2.67926243,
4.64061865,
0
],
[
2.67926243,
1.54687288,
4.37521723
]
] |
agm001392387
|
[
[
2.67926243,
1.5468728825000002,
1.0938043075
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[
0,
0,
0
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[
5.35852486,
3.0937457650000004,
2.187608615
],
[
8.03778729,
4.6406186475,
3.2814129224999995
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}]
|
[
"Mg",
"Tl",
"Bi",
"Er"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
1.767372,
0,
0
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[
0,
1.767372,
0
],
[
0,
0,
1.767372
]
] | -13.220119
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000022
| 3.169335
|
pbe
| true
|
ccd66a7f6bcf2f8afd0e7ec93134733b_216_Er1Mg1Tl1Bi1
|
[
"Bi",
"F",
"O",
"Rb"
] | 10
|
A6B2CD
|
BiF6ORb2
|
Rb2 Bi1 O1 F6
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.42916331,
0,
0
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[
0,
6.42916331,
0
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[
3.21458165,
3.21458165,
4.7983899
]
] |
agm004485164
|
[
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3.214581655,
3.214581655,
0
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[
0,
0,
0
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[
6.4291633075,
3.2145816524999997,
2.39919495
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3.2145816524999997,
6.4291633075,
2.39919495
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[
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3.214581652278651,
2.611618903130616
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[
6.429163307721349,
6.429163307721349,
2.186770996869384
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[
1.5475981034989092,
1.5475981034989092,
0
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[
4.881565206501091,
4.881565206501091,
0
],
[
4.881565206501091,
1.5475981034989092,
0
],
[
1.5475981034989092,
4.881565206501091,
0
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
|
[
"O",
"Bi",
"Rb",
"Rb",
"F",
"F",
"F",
"F",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.1,
0.6,
0.1,
0.2
] |
[
[
1.5967491,
0,
0
],
[
0,
1.5967491,
0
],
[
0,
0,
1.8255635
]
] | -40.940864
|
[
1.641,
0.01,
0,
0,
0.021,
0.021,
0.038,
0.038,
0.038,
0.038
] |
[
[
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,
0.00206555
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[
0,
0,
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[
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0
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[
0.00184657,
0.00184657,
0
],
[
0.00184657,
-0.00184657,
0
],
[
-0.00184657,
0.00184657,
0
]
] | 2.17779
| 5.177595
|
pbe
| true
|
d4fc672c562dd63c6975963f1758e332_139_Rb2Bi1O1F6
|
[
"Bi",
"Ga",
"H",
"Tl"
] | 5
|
A2BCD
|
BiGaHTl2
|
Tl2 Ga1 Bi1 H1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.00177207,
0,
0
],
[
0,
5.00177207,
0
],
[
0,
0,
4.78499484
]
] |
agm001606115
|
[
[
0,
0,
0
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[
0,
2.500886035,
0
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[
2.500886035,
0,
0
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[
2.500886035,
2.500886035,
2.39249742
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[
0,
0,
2.39249742
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"H",
"Tl",
"Tl",
"Bi",
"Ga"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
4.136292,
0,
0
],
[
0,
4.136292,
0
],
[
0,
0,
4.070763
]
] | -14.04595
|
[
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
| 1.476054
|
pbe
| true
|
a21ee6a9ba054981ee94d5e0d393e8e7_123_Tl2Ga1Bi1H1
|
[
"Bi",
"Ga",
"P",
"Se"
] | 4
|
ABCD
|
BiGaPSe
|
Ga1 Bi1 P1 Se1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.00776949,
0.00332191,
-0.04070146
],
[
-1.36890811,
3.76705451,
0.03375793
],
[
-0.74112168,
-2.29420399,
7.13245773
]
] |
agm002122397
|
[
[
0.6466272801935136,
-1.2987592153532912,
6.653530389911487
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[
-0.5194178496672185,
2.327130932116464,
3.227008689933337
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[
1.421773385701802,
0.9674132893960665,
1.9449679966806708
],
[
2.6686978825172396,
0.09444672412744498,
5.769730808152006
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Ga",
"Bi",
"P",
"Se"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
0.7140421,
0.0350533,
0.03854647
],
[
0.03505349,
0.7000475,
0.05110979
],
[
0.03854624,
0.05110992,
0.5283916
]
] | -16.282157
|
[
0,
0,
0,
0
] |
[
[
0.00175612,
0.00009636,
0.00818468
],
[
0.00164869,
0.00020326,
-0.00292061
],
[
0.00086808,
-0.0017583,
-0.00190775
],
[
-0.0042729,
0.00145868,
-0.00335632
]
] | -0.000002
| 1.225529
|
pbe
| true
|
74dea970afaafcc060753af98cb29bc0_8_Ga1Bi1P1Se1
|
[
"Bi",
"Ge",
"Sb",
"Th"
] | 12
|
A6B3C2D
|
Bi3Ge2SbTh6
|
Th6 Ge2 Bi3 Sb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.4452111,
0,
0
],
[
0,
9.04454556,
0.2316506
],
[
-2.22260555,
-2.69987894,
9.46069365
]
] |
agm004595617
|
[
[
-2.5611309524776974e-17,
6.267122409861104,
6.471686709506507
],
[
2.2226033051683944,
4.1887312695120285,
3.4327051503268122
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[
2.22260555,
0.07754421013889545,
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2.22260555,
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|
[
"Th",
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"Ge",
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2023-11-16 06:57:59
|
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| 5.917472
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pbe
| true
|
23c7b4e92b98cb7502ae944cd0aa93ef_12_Th6Ge2Bi3Sb1
|
[
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A2BCD
|
BiHO2Rh
|
Bi1 H1 Rh1 O2
| 4
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1
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|
[
"H",
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2023-11-16 06:57:59
|
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0
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[
0,
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0,
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| 2.051942
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pbe
| true
|
43042a5f792df144e64c8b95174e8454_123_Bi1H1Rh1O2
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