mp_id stringlengths 4 38 | elements listlengths 1 10 | atomic_numbers listlengths 1 200 | num_atoms int32 1 200 | num_elements int32 1 10 | fractional_coords listlengths 1 200 | lattice dict | spacegroup_number int32 0 230 | reduced_formula stringlengths 1 24 | tier stringclasses 3
values | is_li_containing bool 2
classes | num_li_atoms int32 0 104 ⌀ | band_gap float32 0 17.9 ⌀ | energy_above_hull float32 0 9.71 ⌀ | formation_energy_per_atom float32 -5.15 8.99 ⌀ | is_metal bool 2
classes | source_tags listlengths 1 5 ⌀ | source stringclasses 4
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1186989 | [
"Sc",
"Os"
] | [
21,
21,
76,
76,
76,
76,
76,
76
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 3.929950475692749,
"b": 3.929950475692749,
"c": 8.04358196258545,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | ScOs3 | hard_negative | false | null | 0 | 0.389407 | 0.104345 | true | [
"metallic"
] | null |
mp-1186990 | [
"Sc",
"Pb"
] | [
21,
21,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.534599781036377,
"b": 4.534599781036377,
"c": 11.049369812011719,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | ScPb3 | hard_negative | false | null | 0 | 0.100098 | -0.155656 | true | [
"metallic"
] | null |
mp-1187004 | [
"Si",
"Ge"
] | [
14,
14,
32,
32,
32,
32,
32,
32
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 3.977303981781006,
"b": 3.977303981781006,
"c": 9.386940002441406,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | SiGe3 | hard_negative | false | null | 0 | 0.421128 | 0.421128 | true | [
"metallic"
] | null |
mp-1187007 | [
"Si",
"Pb"
] | [
14,
14,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.8134260177612305,
"b": 4.8134260177612305,
"c": 9.769140243530273,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | SiPb3 | hard_negative | false | null | 0 | 0.335267 | 0.335267 | true | [
"metallic"
] | null |
mp-1187010 | [
"Cd",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
48,
48
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.902723789215088,
"b": 4.902723789215088,
"c": 9.977115631103516,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sm3Cd | hard_negative | false | null | 0 | 0.069292 | -0.081156 | true | [
"metallic"
] | null |
mp-1187019 | [
"Se",
"Br"
] | [
34,
34,
34,
34,
34,
34,
35,
35
] | 8 | 2 | [
[
0.5,
0,
0.25
],
[
0,
0.5,
0.25
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.75
],
[
0.5,
0,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.8024840354919434,
"b": 3.8024840354919434,
"c": 16.96380043029785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Se3Br | hard_negative | false | null | 0 | 0.001964 | -0.20746 | true | [
"halide",
"metallic"
] | null |
mp-1187030 | [
"Ge",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
32,
32
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.601769924163818,
"b": 4.601769924163818,
"c": 9.766812324523926,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sn3Ge | hard_negative | false | null | 0 | 0.163537 | 0.163537 | true | [
"metallic"
] | null |
mp-1187032 | [
"B",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
5,
5
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.472708225250244,
"b": 4.472708225250244,
"c": 9.364534378051758,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sn3B | hard_negative | false | null | 0 | 0.921081 | 0.921081 | true | [
"metallic"
] | null |
mp-1187045 | [
"Mo",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
42,
42
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.499638080596924,
"b": 4.499638080596924,
"c": 8.853568077087402,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sn3Mo | hard_negative | false | null | 0 | 0.53992 | 0.53992 | true | [
"metallic"
] | null |
mp-1187054 | [
"Mg",
"Th"
] | [
90,
90,
90,
90,
90,
90,
12,
12
] | 8 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.927691459655762,
"b": 4.927691459655762,
"c": 10.084108352661133,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Th3Mg | hard_negative | false | null | 0 | 0.066296 | 0.066296 | true | [
"metallic"
] | null |
mp-1187057 | [
"Rh",
"Th"
] | [
90,
90,
90,
90,
90,
90,
45,
45
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.516561985015869,
"b": 4.516561985015869,
"c": 10.611592292785645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Th3Rh | hard_negative | false | null | 0 | 0.433317 | -0.079622 | true | [
"metallic"
] | null |
mp-1187080 | [
"Sn",
"Te"
] | [
50,
50,
50,
50,
50,
50,
52,
52
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.601808071136475,
"b": 4.601808071136475,
"c": 11.032987594604492,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sn3Te | hard_negative | false | null | 0 | 0.207157 | 0.074632 | true | [
"metallic"
] | null |
mp-1187084 | [
"Sm",
"Pu"
] | [
62,
62,
94,
94,
94,
94,
94,
94
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.695432186126709,
"b": 4.695432186126709,
"c": 9.57079792022705,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | SmPu3 | hard_negative | false | null | 0 | 0.250901 | 0.250901 | true | [
"metallic"
] | null |
mp-1187100 | [
"Mg",
"Sr"
] | [
38,
38,
38,
38,
12,
12
] | 6 | 2 | [
[
0,
0,
0.3580338656902313
],
[
0.5,
0.5,
0.14196613430976868
],
[
0.5,
0.5,
0.8580338358879089
],
[
0,
0,
0.6419661641120911
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.236416339874268,
"b": 4.236416339874268,
"c": 14.494975090026855,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sr2Mg | hard_negative | false | null | 0 | 0.048463 | 0.003383 | true | [
"metallic"
] | null |
mp-1187110 | [
"Ca",
"Sr"
] | [
38,
38,
38,
38,
38,
38,
20,
20
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.985437393188477,
"b": 5.985437393188477,
"c": 11.913412094116211,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sr3Ca | hard_negative | false | null | 0 | 0.044508 | 0.044508 | true | [
"metallic"
] | null |
mp-1187114 | [
"Cr",
"Sr"
] | [
38,
38,
38,
38,
38,
38,
24,
24
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.560751914978027,
"b": 5.560751914978027,
"c": 10.951848030090332,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sr3Cr | hard_negative | false | null | 0 | 0.504573 | 0.504573 | true | [
"metallic"
] | null |
mp-1187123 | [
"Sr",
"Nb"
] | [
38,
38,
38,
38,
38,
38,
41,
41
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.548952102661133,
"b": 5.548952102661133,
"c": 10.364935874938965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sr3Nb | hard_negative | false | null | 0 | 0.736441 | 0.736441 | true | [
"metallic"
] | null |
mp-1187141 | [
"Sr",
"Ta"
] | [
38,
38,
38,
38,
38,
38,
73,
73
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.399775981903076,
"b": 5.399775981903076,
"c": 10.627462387084961,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sr3Ta | hard_negative | false | null | 0 | 0.903848 | 0.903848 | true | [
"metallic"
] | null |
mp-1187142 | [
"Ti",
"Sr"
] | [
38,
38,
38,
38,
38,
38,
22,
22
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.507118225097656,
"b": 5.507118225097656,
"c": 11.045364379882812,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sr3Ti | hard_negative | false | null | 0 | 0.522096 | 0.522096 | true | [
"metallic"
] | null |
mp-1187148 | [
"Sr",
"Zr"
] | [
38,
38,
38,
38,
38,
38,
40,
40
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.551941871643066,
"b": 5.551941871643066,
"c": 10.96460247039795,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sr3Zr | hard_negative | false | null | 0 | 0.500508 | 0.500508 | true | [
"metallic"
] | null |
mp-1187149 | [
"Sc",
"Sr"
] | [
38,
38,
38,
38,
38,
38,
21,
21
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.562633991241455,
"b": 5.562633991241455,
"c": 11.57345962524414,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sr3Sc | hard_negative | false | null | 0 | 0.294565 | 0.294565 | true | [
"metallic"
] | null |
mp-1187156 | [
"Sr",
"Th"
] | [
38,
38,
38,
38,
38,
38,
90,
90
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.748785972595215,
"b": 5.748785972595215,
"c": 11.134380340576172,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Sr3Th | hard_negative | false | null | 0 | 0.404807 | 0.404807 | true | [
"metallic"
] | null |
mp-1187169 | [
"Ca",
"Sr"
] | [
38,
38,
20,
20,
20,
20,
20,
20
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 5.732055187225342,
"b": 5.732055187225342,
"c": 11.327914237976074,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | SrCa3 | hard_negative | false | null | 0 | 0.030014 | 0.030014 | true | [
"metallic"
] | null |
mp-1187177 | [
"F",
"Sr"
] | [
38,
38,
9,
9,
9,
9,
9,
9
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
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[
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[
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[
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[
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[
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] | {
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"c": 6.468443393707275,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | SrF3 | hard_negative | false | null | 0 | 0.131727 | -3.024883 | true | [
"halide",
"metallic"
] | null |
mp-1187215 | [
"As",
"Ta"
] | [
73,
73,
33,
33,
33,
33,
33,
33
] | 8 | 2 | [
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0,
0
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[
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0.5
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[
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[
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[
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"c": 8.969442367553711,
"alpha": 90,
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"gamma": 90
} | 139 | TaAs3 | hard_negative | false | null | 0 | 0.647999 | 0.249073 | true | [
"metallic"
] | null |
mp-1187223 | [
"Pd",
"Ta"
] | [
73,
73,
73,
73,
73,
73,
46,
46
] | 8 | 2 | [
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[
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[
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[
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[
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[
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"alpha": 90,
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} | 139 | Ta3Pd | hard_negative | false | null | 0 | 0.145888 | -0.037568 | true | [
"metallic"
] | null |
mp-1187227 | [
"Cu",
"Ta"
] | [
73,
73,
73,
73,
73,
73,
29,
29
] | 8 | 2 | [
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[
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[
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[
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"alpha": 90,
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} | 139 | Ta3Cu | hard_negative | false | null | 0 | 0.164943 | 0.164943 | true | [
"metallic"
] | null |
mp-1187229 | [
"Sr",
"La"
] | [
38,
38,
57,
57,
57,
57,
57,
57
] | 8 | 2 | [
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[
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"alpha": 90,
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} | 139 | SrLa3 | hard_negative | false | null | 0 | 0.139018 | 0.139018 | true | [
"metallic"
] | null |
mp-1187230 | [
"Sr",
"Sm"
] | [
38,
38,
62,
62,
62,
62,
62,
62
] | 8 | 2 | [
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[
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"alpha": 90,
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} | 139 | SrSm3 | hard_negative | false | null | 0 | 0.164102 | 0.164102 | true | [
"metallic"
] | null |
mp-1187236 | [
"Sr",
"Pa"
] | [
38,
38,
91,
91,
91,
91,
91,
91
] | 8 | 2 | [
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[
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] | {
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"alpha": 90,
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} | 139 | SrPa3 | hard_negative | false | null | 0 | 0.630463 | 0.630463 | true | [
"metallic"
] | null |
mp-1187239 | [
"Sr",
"Gd"
] | [
38,
38,
64,
64,
64,
64,
64,
64
] | 8 | 2 | [
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[
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[
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] | {
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"alpha": 90,
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} | 139 | SrGd3 | hard_negative | false | null | 0 | 0.170339 | 0.170339 | true | [
"metallic"
] | null |
mp-1187255 | [
"P",
"Ta"
] | [
73,
73,
15,
15,
15,
15,
15,
15
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | TaP3 | hard_negative | false | null | 0 | 0.694533 | 0.19675 | true | [
"metallic"
] | null |
mp-1187256 | [
"Ti",
"Ta"
] | [
73,
73,
22,
22,
22,
22,
22,
22
] | 8 | 2 | [
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] | {
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"c": 8.795926094055176,
"alpha": 90,
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"gamma": 90
} | 139 | TaTi3 | hard_negative | false | null | 0 | 0.097486 | 0.097486 | true | [
"metallic"
] | null |
mp-1187268 | [
"Sm",
"Gd"
] | [
62,
62,
64,
64,
64,
64,
64,
64
] | 8 | 2 | [
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0
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[
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[
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[
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] | {
"a": 5.097458362579346,
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"alpha": 90,
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} | 139 | SmGd3 | hard_negative | false | null | 0 | 0.10053 | 0.10053 | true | [
"metallic"
] | null |
mp-1187275 | [
"Tb",
"Bi"
] | [
65,
65,
65,
65,
65,
65,
83,
83
] | 8 | 2 | [
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 139 | Tb3Bi | hard_negative | false | null | 0 | 0.126925 | -0.439314 | true | [
"metallic"
] | null |
mp-1187278 | [
"Tb",
"Dy"
] | [
65,
65,
65,
65,
65,
65,
66,
66
] | 8 | 2 | [
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 139 | Tb3Dy | hard_negative | false | null | 0 | 0.033101 | 0.033101 | true | [
"metallic"
] | null |
mp-1187288 | [
"Sr",
"Eu"
] | [
38,
38,
63,
63,
63,
63,
63,
63
] | 8 | 2 | [
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0
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[
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] | {
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"alpha": 90,
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} | 139 | SrEu3 | hard_negative | false | null | 0 | 0.076167 | 0.076167 | true | [
"metallic"
] | null |
mp-1187289 | [
"Sr",
"Eu"
] | [
38,
38,
38,
38,
38,
38,
63,
63
] | 8 | 2 | [
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[
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[
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[
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] | {
"a": 6.048337936401367,
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"alpha": 90,
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} | 139 | Sr3Eu | hard_negative | false | null | 0 | 0.068458 | 0.068458 | true | [
"metallic"
] | null |
mp-1187294 | [
"Tb",
"Ho"
] | [
65,
65,
65,
65,
65,
65,
67,
67
] | 8 | 2 | [
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[
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[
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[
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[
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tb3Ho | hard_negative | false | null | 0 | 0.04088 | 0.034933 | true | [
"metallic"
] | null |
mp-1187295 | [
"Nd",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
60,
60
] | 8 | 2 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 5.088571548461914,
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"alpha": 90,
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"gamma": 90
} | 139 | Tb3Nd | hard_negative | false | null | 0 | 0.032453 | 0.032453 | true | [
"metallic"
] | null |
mp-1187300 | [
"Pm",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
61,
61
] | 8 | 2 | [
[
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0.5,
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[
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[
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[
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[
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[
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[
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[
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] | {
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"c": 10.14018440246582,
"alpha": 90,
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"gamma": 90
} | 139 | Tb3Pm | hard_negative | false | null | 0 | 0.030913 | 0.030702 | true | [
"metallic"
] | null |
mp-1187301 | [
"Pr",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
59,
59
] | 8 | 2 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
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"c": 10.15691089630127,
"alpha": 90,
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"gamma": 90
} | 139 | Tb3Pr | hard_negative | false | null | 0 | 0.038564 | 0.038564 | true | [
"metallic"
] | null |
mp-1187309 | [
"Te",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
52,
52
] | 8 | 2 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tb3Te | hard_negative | false | null | 0 | 0.225721 | -0.549205 | true | [
"metallic"
] | null |
mp-1187311 | [
"Sm",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
62,
62
] | 8 | 2 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
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"c": 10.129707336425781,
"alpha": 90,
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"gamma": 90
} | 139 | Tb3Sm | hard_negative | false | null | 0 | 0.032624 | 0.029871 | true | [
"metallic"
] | null |
mp-1187313 | [
"Tb",
"Tm"
] | [
65,
65,
65,
65,
65,
65,
69,
69
] | 8 | 2 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 5.013148307800293,
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"c": 10.034758567810059,
"alpha": 90,
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"gamma": 90
} | 139 | Tb3Tm | hard_negative | false | null | 0 | 0.037837 | 0.037837 | true | [
"metallic"
] | null |
mp-1187316 | [
"Sc",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
21,
21
] | 8 | 2 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 139 | Tb3Sc | hard_negative | false | null | 0 | 0.064054 | 0.064054 | true | [
"metallic"
] | null |
mp-1187322 | [
"Y",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
39,
39
] | 8 | 2 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
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"alpha": 90,
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} | 139 | Tb3Y | hard_negative | false | null | 0 | 0.047192 | 0.047192 | true | [
"metallic"
] | null |
mp-1187323 | [
"Zr",
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] | [
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65,
65,
65,
65,
65,
40,
40
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
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0,
0.75
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[
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[
0,
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[
0,
0,
0
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[
0.5,
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] | {
"a": 4.8974761962890625,
"b": 4.8974761962890625,
"c": 9.750249862670898,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tb3Zr | hard_negative | false | null | 0 | 0.102352 | 0.102352 | true | [
"metallic"
] | null |
mp-1187324 | [
"Tb",
"Th"
] | [
65,
65,
65,
65,
65,
65,
90,
90
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
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0
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[
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[
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[
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[
0,
0,
0
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[
0.5,
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] | {
"a": 5.087893486022949,
"b": 5.087893486022949,
"c": 9.9657621383667,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tb3Th | hard_negative | false | null | 0 | 0.047822 | 0.047822 | true | [
"metallic"
] | null |
mp-1187325 | [
"Tb",
"Pb"
] | [
65,
65,
65,
65,
65,
65,
82,
82
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
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0
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[
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[
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[
0,
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[
0,
0,
0
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[
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] | {
"a": 4.738637924194336,
"b": 4.738637924194336,
"c": 10.493302345275879,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tb3Pb | hard_negative | false | null | 0 | 0.097734 | -0.262889 | true | [
"metallic"
] | null |
mp-1187331 | [
"Tb",
"Bi"
] | [
65,
65,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0,
0,
0
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[
0.5,
0.5,
0.5
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[
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0.25
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[
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[
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[
0,
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0.75
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[
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] | {
"a": 4.686738014221191,
"b": 4.686738014221191,
"c": 11.027877807617188,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | TbBi3 | hard_negative | false | null | 0 | 0.084612 | -0.466259 | true | [
"metallic"
] | null |
mp-1187350 | [
"Tb",
"Ho"
] | [
65,
65,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0,
0.5,
0.25
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[
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[
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0
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[
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[
0,
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0.75
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[
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] | {
"a": 4.998354434967041,
"b": 4.998354434967041,
"c": 10.015528678894043,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | TbHo3 | hard_negative | false | null | 0 | 0.048522 | 0.042575 | true | [
"metallic"
] | null |
mp-1187354 | [
"Ce",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
58,
58
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
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[
0.5,
0.5,
0
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[
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[
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[
0,
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[
0,
0,
0
],
[
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] | {
"a": 4.9994659423828125,
"b": 4.9994659423828125,
"c": 9.90078353881836,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tb3Ce | hard_negative | false | null | 0 | 0.085084 | 0.085084 | true | [
"metallic"
] | null |
mp-1187360 | [
"Ce",
"Tb"
] | [
65,
65,
58,
58,
58,
58,
58,
58
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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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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0.75
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[
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] | {
"a": 4.791197776794434,
"b": 4.791197776794434,
"c": 9.752792358398438,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | TbCe3 | hard_negative | false | null | 0 | 0.095443 | 0.095443 | true | [
"metallic"
] | null |
mp-1187386 | [
"Tb",
"Np"
] | [
65,
65,
93,
93,
93,
93,
93,
93
] | 8 | 2 | [
[
0,
0,
0
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[
0.5,
0.5,
0.5
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[
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[
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[
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[
0,
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[
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] | {
"a": 4.579843997955322,
"b": 4.579843997955322,
"c": 9.235274314880371,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | TbNp3 | hard_negative | false | null | 0 | 0.700145 | 0.700145 | true | [
"metallic"
] | null |
mp-1187396 | [
"Mo",
"Tc"
] | [
43,
43,
43,
43,
43,
43,
42,
42
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
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[
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[
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[
0,
0,
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[
0,
0,
0
],
[
0.5,
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]
] | {
"a": 3.9195199012756348,
"b": 3.9195199012756348,
"c": 7.813695907592773,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tc3Mo | hard_negative | false | null | 0 | 0.119018 | 0.119018 | true | [
"metallic"
] | null |
mp-1187405 | [
"Cd",
"Th"
] | [
90,
90,
90,
90,
90,
90,
48,
48
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
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[
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[
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[
0,
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[
0,
0,
0
],
[
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] | {
"a": 4.902501106262207,
"b": 4.902501106262207,
"c": 10.061458587646484,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Th3Cd | hard_negative | false | null | 0 | 0.060213 | -0.02108 | true | [
"metallic"
] | null |
mp-1187406 | [
"Zn",
"Th"
] | [
90,
90,
90,
90,
90,
90,
30,
30
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
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[
0.5,
0.5,
0
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[
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0,
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[
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[
0,
0,
0.5
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[
0,
0,
0
],
[
0.5,
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0.5
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] | {
"a": 4.800446033477783,
"b": 4.800446033477783,
"c": 9.9607515335083,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Th3Zn | hard_negative | false | null | 0 | 0.128987 | 0.002652 | true | [
"metallic"
] | null |
mp-1187408 | [
"Cl",
"Th"
] | [
90,
90,
90,
90,
90,
90,
17,
17
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
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0,
0.75
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[
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[
0,
0,
0.5
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[
0,
0,
0
],
[
0.5,
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0.5
]
] | {
"a": 4.793859958648682,
"b": 4.793859958648682,
"c": 10.25361156463623,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Th3Cl | hard_negative | false | null | 0 | 0.740031 | -0.016214 | true | [
"halide",
"metallic"
] | null |
mp-1187410 | [
"Hg",
"Th"
] | [
90,
90,
90,
90,
90,
90,
80,
80
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
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[
0,
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0.5
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[
0,
0,
0
],
[
0.5,
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0.5
]
] | {
"a": 4.86743688583374,
"b": 4.86743688583374,
"c": 10.071416854858398,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Th3Hg | hard_negative | false | null | 0 | 0.079906 | -0.072799 | true | [
"metallic"
] | null |
mp-1187414 | [
"W",
"Th"
] | [
90,
90,
90,
90,
90,
90,
74,
74
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
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[
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[
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[
0,
0,
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[
0,
0,
0
],
[
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] | {
"a": 4.618492126464844,
"b": 4.618492126464844,
"c": 10.1384859085083,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Th3W | hard_negative | false | null | 0 | 0.450887 | 0.450887 | true | [
"metallic"
] | null |
mp-1187446 | [
"Ti",
"Th"
] | [
90,
90,
22,
22,
22,
22,
22,
22
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0,
0.5,
0.25
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[
0.5,
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0.25
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[
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0
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[
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0,
0.75
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[
0,
0.5,
0.75
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[
0,
0,
0.5
]
] | {
"a": 4.724949836730957,
"b": 4.724949836730957,
"c": 7.251743793487549,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | ThTi3 | hard_negative | false | null | 0 | 0.156023 | 0.156023 | true | [
"metallic"
] | null |
mp-1187450 | [
"Te",
"Pb"
] | [
52,
52,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0.5,
0.5,
0
],
[
0.5,
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0.25
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[
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[
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[
0,
0.5,
0.75
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[
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0,
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] | {
"a": 4.843810081481934,
"b": 4.843810081481934,
"c": 11.05471420288086,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | TePb3 | hard_negative | false | null | 0 | 0.306293 | 0.054378 | true | [
"metallic"
] | null |
mp-1187451 | [
"Tc",
"Th"
] | [
90,
90,
43,
43,
43,
43,
43,
43
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0,
0.5,
0.25
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[
0.5,
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0.25
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[
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[
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0,
0.75
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[
0,
0.5,
0.75
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[
0,
0,
0.5
]
] | {
"a": 4.491471767425537,
"b": 4.491471767425537,
"c": 7.09168004989624,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | ThTc3 | hard_negative | false | null | 0 | 0.37149 | 0.269504 | true | [
"metallic"
] | null |
mp-1187457 | [
"Sc",
"Th"
] | [
90,
90,
21,
21,
21,
21,
21,
21
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0,
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0.25
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[
0.5,
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[
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[
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[
0,
0.5,
0.75
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[
0,
0,
0.5
]
] | {
"a": 4.893435478210449,
"b": 4.893435478210449,
"c": 8.934685707092285,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | ThSc3 | hard_negative | false | null | 0 | 0.052676 | 0.052676 | true | [
"metallic"
] | null |
mp-1187468 | [
"Eu",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
63,
63
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
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[
0.5,
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0
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[
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[
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[
0,
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[
0,
0,
0
],
[
0.5,
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]
] | {
"a": 5.09800386428833,
"b": 5.09800386428833,
"c": 10.22879409790039,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tb3Eu | hard_negative | false | null | 0 | 0.079582 | 0.079582 | true | [
"metallic"
] | null |
mp-1187474 | [
"Ti",
"Zn"
] | [
22,
22,
22,
22,
22,
22,
30,
30
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
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[
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[
0,
0,
0.5
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[
0,
0,
0
],
[
0.5,
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]
] | {
"a": 3.926652431488037,
"b": 3.926652431488037,
"c": 8.38280200958252,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ti3Zn | hard_negative | false | null | 0 | 0.01119 | -0.10633 | true | [
"metallic"
] | null |
mp-1187475 | [
"Be",
"Ti"
] | [
22,
22,
22,
22,
22,
22,
4,
4
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
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[
0.5,
0.5,
0
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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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] | {
"a": 3.8504300117492676,
"b": 3.8504300117492676,
"c": 8.02598762512207,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ti3Be | hard_negative | false | null | 0 | 0.072077 | -0.000591 | true | [
"metallic"
] | null |
mp-1187512 | [
"Ti",
"Au"
] | [
22,
22,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
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[
0,
0.5,
0.25
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[
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[
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[
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[
0,
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0.75
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[
0,
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0.5
]
] | {
"a": 4.202635765075684,
"b": 4.202635765075684,
"c": 7.715766429901123,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | TiAu3 | hard_negative | false | null | 0 | 0.063009 | -0.312751 | true | [
"metallic"
] | null |
mp-1187528 | [
"Ti",
"Sb"
] | [
22,
22,
51,
51,
51,
51,
51,
51
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
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[
0,
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0.25
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[
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[
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[
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[
0,
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0.75
],
[
0,
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0.5
]
] | {
"a": 4.415326118469238,
"b": 4.415326118469238,
"c": 9.828630447387695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | TiSb3 | hard_negative | false | null | 0 | 0.409267 | 0.102539 | true | [
"metallic"
] | null |
mp-1187541 | [
"Ti",
"In"
] | [
22,
22,
22,
22,
22,
22,
49,
49
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
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[
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0
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[
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[
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[
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[
0,
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0
],
[
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]
] | {
"a": 4.088540077209473,
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"c": 8.73473834991455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ti3In | hard_negative | false | null | 0 | 0.004948 | -0.120116 | true | [
"metallic"
] | null |
mp-1187544 | [
"S",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
16,
16
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
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[
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[
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[
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[
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] | {
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"c": 10.285601615905762,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tl3S | hard_negative | false | null | 0 | 0.15569 | -0.223148 | true | [
"sulfide",
"metallic"
] | null |
mp-1187545 | [
"Ag",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
47,
47
] | 8 | 2 | [
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0.5,
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[
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[
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[
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tl3Ag | hard_negative | false | null | 0 | 0.109451 | 0.109451 | true | [
"metallic"
] | null |
mp-1187546 | [
"Cu",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
29,
29
] | 8 | 2 | [
[
0,
0.5,
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[
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[
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[
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[
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] | {
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"c": 9.972607612609863,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tl3Cu | hard_negative | false | null | 0 | 0.289969 | 0.289969 | true | [
"metallic"
] | null |
mp-1187547 | [
"Y",
"Yb"
] | [
70,
70,
39,
39,
39,
39,
39,
39
] | 8 | 2 | [
[
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0,
0
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[
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[
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] | {
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"c": 10.151421546936035,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | YbY3 | hard_negative | false | null | 0 | 0.08388 | 0.08388 | true | [
"metallic"
] | null |
mp-1187549 | [
"Pm",
"Yb"
] | [
70,
70,
61,
61,
61,
61,
61,
61
] | 8 | 2 | [
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[
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] | {
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"c": 10.18437385559082,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | YbPm3 | hard_negative | false | null | 0 | 0.026659 | 0.026659 | true | [
"metallic"
] | null |
mp-1187550 | [
"Si",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
14,
14
] | 8 | 2 | [
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[
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[
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[
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] | {
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"c": 8.120513916015625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tl3Si | hard_negative | false | null | 0 | 0.35596 | 0.35596 | true | [
"metallic"
] | null |
mp-1187551 | [
"Zn",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
30,
30
] | 8 | 2 | [
[
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[
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[
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[
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[
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] | {
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"c": 9.90106201171875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tl3Zn | hard_negative | false | null | 0 | 0.13277 | 0.13277 | true | [
"metallic"
] | null |
mp-1187554 | [
"Ge",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
32,
32
] | 8 | 2 | [
[
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0.5,
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[
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[
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[
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[
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] | {
"a": 5.344346046447754,
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"c": 7.909411907196045,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tl3Ge | hard_negative | false | null | 0 | 0.153064 | 0.153064 | true | [
"metallic"
] | null |
mp-1187555 | [
"Cd",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
48,
48
] | 8 | 2 | [
[
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[
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[
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] | {
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"c": 9.847221374511719,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tl3Cd | hard_negative | false | null | 0 | 0.067324 | 0.067324 | true | [
"metallic"
] | null |
mp-1187637 | [
"F",
"Yb"
] | [
70,
70,
9,
9,
9,
9,
9,
9
] | 8 | 2 | [
[
0,
0,
0
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[
0.5,
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[
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[
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | YbF3 | hard_negative | false | null | 0 | 0.3526 | -4.17172 | true | [
"halide",
"metallic"
] | null |
mp-1187647 | [
"Sn",
"Tm"
] | [
69,
69,
69,
69,
69,
69,
50,
50
] | 8 | 2 | [
[
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[
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] | {
"a": 4.560476303100586,
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"alpha": 90,
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"gamma": 90
} | 139 | Tm3Sn | hard_negative | false | null | 0 | 0.089466 | -0.371802 | true | [
"metallic"
] | null |
mp-1187648 | [
"Ge",
"Tm"
] | [
69,
69,
69,
69,
69,
69,
32,
32
] | 8 | 2 | [
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Tm3Ge | hard_negative | false | null | 0 | 0.241639 | -0.290174 | true | [
"metallic"
] | null |
mp-1187652 | [
"Ru",
"Tm"
] | [
69,
69,
44,
44,
44,
44,
44,
44
] | 8 | 2 | [
[
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0,
0
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | TmRu3 | hard_negative | false | null | 0 | 0.38471 | 0.101204 | true | [
"metallic"
] | null |
mp-1187668 | [
"Ge",
"U"
] | [
92,
92,
92,
92,
92,
92,
32,
32
] | 8 | 2 | [
[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | U3Ge | hard_negative | false | null | 0 | 0.068165 | -0.120785 | true | [
"metallic"
] | null |
mp-1187669 | [
"Dy",
"Yb"
] | [
70,
70,
66,
66,
66,
66,
66,
66
] | 8 | 2 | [
[
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0,
0
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[
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] | {
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"c": 9.976288795471191,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | YbDy3 | hard_negative | false | null | 0 | 0.04654 | 0.042906 | true | [
"metallic"
] | null |
mp-1187675 | [
"Ho",
"Yb"
] | [
70,
70,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
[
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0
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | YbHo3 | hard_negative | false | null | 0 | 0.051438 | 0.04782 | true | [
"metallic"
] | null |
mp-1187678 | [
"Th",
"Np"
] | [
90,
90,
93,
93,
93,
93,
93,
93
] | 8 | 2 | [
[
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0
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[
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] | {
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"c": 8.934844017028809,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | ThNp3 | hard_negative | false | null | 0 | 0.582907 | 0.582907 | true | [
"metallic"
] | null |
mp-1187683 | [
"Hg",
"U"
] | [
92,
92,
92,
92,
92,
92,
80,
80
] | 8 | 2 | [
[
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[
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[
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] | {
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"c": 8.670479774475098,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | U3Hg | hard_negative | false | null | 0 | 0.448469 | 0.448469 | true | [
"metallic"
] | null |
mp-1187719 | [
"V",
"Ag"
] | [
23,
23,
23,
23,
23,
23,
47,
47
] | 8 | 2 | [
[
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0.25
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 139 | V3Ag | hard_negative | false | null | 0 | 0.372452 | 0.372452 | true | [
"metallic"
] | null |
mp-1187734 | [
"V",
"Br"
] | [
23,
23,
23,
23,
23,
23,
35,
35
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
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[
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[
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[
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] | {
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"c": 9.101601600646973,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | V3Br | hard_negative | false | null | 0 | 0.914012 | 0.460672 | true | [
"halide",
"metallic"
] | null |
mp-1187742 | [
"In",
"Tl"
] | [
81,
81,
49,
49,
49,
49,
49,
49
] | 8 | 2 | [
[
0,
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0
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[
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[
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] | {
"a": 4.852181911468506,
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"c": 9.302218437194824,
"alpha": 90,
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"gamma": 90
} | 139 | TlIn3 | hard_negative | false | null | 0 | 0.028007 | 0.028007 | true | [
"metallic"
] | null |
mp-1187748 | [
"Mn",
"U"
] | [
92,
92,
25,
25,
25,
25,
25,
25
] | 8 | 2 | [
[
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0
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[
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] | {
"a": 3.7994139194488525,
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"alpha": 90,
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"gamma": 90
} | 139 | UMn3 | hard_negative | false | null | 0 | 0.177328 | 0.14278 | true | [
"metallic"
] | null |
mp-1187753 | [
"V",
"Cu"
] | [
23,
23,
23,
23,
23,
23,
29,
29
] | 8 | 2 | [
[
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[
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[
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[
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[
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] | {
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"c": 7.760572910308838,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | V3Cu | hard_negative | false | null | 0 | 0.138323 | 0.138323 | true | [
"metallic"
] | null |
mp-1187756 | [
"Zn",
"U"
] | [
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92,
92,
92,
92,
92,
30,
30
] | 8 | 2 | [
[
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[
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[
0.5,
0.5,
0.5
]
] | {
"a": 4.348502159118652,
"b": 4.348502159118652,
"c": 8.296316146850586,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | U3Zn | hard_negative | false | null | 0 | 0.225285 | 0.207173 | true | [
"metallic"
] | null |
mp-1187758 | [
"W",
"Au"
] | [
74,
74,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.242949962615967,
"b": 4.242949962615967,
"c": 7.743800163269043,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | WAu3 | hard_negative | false | null | 0 | 0.514512 | 0.514512 | true | [
"metallic"
] | null |
mp-1187786 | [
"Ge",
"Y"
] | [
39,
39,
39,
39,
39,
39,
32,
32
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.530787944793701,
"b": 4.530787944793701,
"c": 10.39404010772705,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Y3Ge | hard_negative | false | null | 0 | 0.264851 | -0.354666 | true | [
"metallic"
] | null |
mp-1187787 | [
"F",
"V"
] | [
23,
23,
23,
23,
23,
23,
9,
9
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.6760220527648926,
"b": 3.6760220527648926,
"c": 10.214533805847168,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | V3F | hard_negative | false | null | 0 | 1.730863 | 0.599621 | true | [
"halide",
"metallic"
] | null |
mp-1187795 | [
"P",
"Y"
] | [
39,
39,
39,
39,
39,
39,
15,
15
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.428686141967773,
"b": 4.428686141967773,
"c": 10.292717933654785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Y3P | hard_negative | false | null | 0 | 0.502638 | -0.425939 | true | [
"metallic"
] | null |
mp-1187805 | [
"Y",
"Sn"
] | [
39,
39,
39,
39,
39,
39,
50,
50
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.6821699142456055,
"b": 4.6821699142456055,
"c": 10.528349876403809,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Y3Sn | hard_negative | false | null | 0 | 0.133223 | -0.362388 | true | [
"metallic"
] | null |
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