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mp-530074
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mp-555948
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{
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}
| 1
|
C37F21
|
general_inorganic
| false
| null | 2.0208
| 0.234441
| -0.627359
| false
|
[
"halide"
] | null |
mp-557004
|
[
"O",
"Si"
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[
14,
14,
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8,
8,
8,
8,
8,
8,
8,
8,
8
] | 36
| 2
|
[
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[
0.5350609421730042,
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{
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"gamma": 98.94268035888672
}
| 1
|
SiO2
|
general_inorganic
| false
| null | 5.5806
| 0.020842
| -3.25199
| false
|
[
"oxide",
"silicate"
] | null |
mp-611224
|
[
"S",
"V"
] |
[
23,
16,
16
] | 3
| 2
|
[
[
0.49202799797058105,
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0.5002310276031494
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0.943979024887085,
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[
0.07368800044059753,
0.5739820003509521,
0.8083500266075134
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] |
{
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"gamma": 60.91683578491211
}
| 1
|
VS2
|
hard_negative
| false
| null | 0
| 2.2573
| 1.056314
| true
|
[
"sulfide",
"metallic"
] | null |
mp-620471
|
[
"Te",
"Cs"
] |
[
55,
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52,
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52,
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52,
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] | 25
| 2
|
[
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0.100443996489048,
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[
0.39276400208473206,
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] |
{
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"gamma": 89.86260986328125
}
| 1
|
Cs3Te22
|
hard_negative
| false
| null | 0
| 0.086626
| -0.200462
| true
|
[
"metallic"
] | null |
mp-623782
|
[
"Ag",
"Eu"
] |
[
63,
63,
63,
63,
47,
47,
47,
47
] | 8
| 2
|
[
[
0.7499421834945679,
0.13399097323417664,
0.1766267567873001
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[
0.2501528263092041,
0.6335942149162292,
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0.681666910648346
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0.25013643503189087,
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0.7500067353248596,
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0.7502568960189819,
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0.051948148757219315
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[
0.24964380264282227,
0.12182983756065369,
0.4491407573223114
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] |
{
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"alpha": 75.86388397216797,
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"gamma": 88.02200317382812
}
| 1
|
EuAg
|
general_inorganic
| false
| null | 0.2822
| 2.498425
| 2.188915
| false
| null | null |
mp-632442
|
[
"C",
"Al"
] |
[
13,
13,
13,
13,
6,
6,
6
] | 7
| 2
|
[
[
0.04025400057435036,
0.17435500025749207,
0.7598879933357239
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[
0.6347939968109131,
0.20539599657058716,
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0.6151250004768372
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[
0.49706700444221497,
0.9532129764556885,
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] |
{
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"alpha": 114.24573516845703,
"beta": 86.63339233398438,
"gamma": 103.3781509399414
}
| 1
|
Al4C3
|
hard_negative
| false
| null | 0
| 0.407003
| 0.168746
| true
|
[
"metallic"
] | null |
mp-633538
|
[
"B",
"C"
] |
[
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5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
6,
6
] | 20
| 2
|
[
[
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0.9086350202560425,
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[
0.40949299931526184,
0.9514110088348389,
0.4474869966506958
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] |
{
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}
| 1
|
B9C
|
hard_negative
| false
| null | 0
| 0.368638
| 0.297466
| true
|
[
"metallic"
] | null |
mp-635425
|
[
"F",
"Al"
] |
[
13,
13,
9,
9,
9,
9,
9,
9
] | 8
| 2
|
[
[
0.28578099608421326,
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[
0.30001100897789,
0.8711509704589844,
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0.7808780074119568,
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0.48389101028442383
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[
0.10781999677419662,
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0.3467719852924347
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[
0.45772799849510193,
0.4632749855518341,
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] |
{
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"gamma": 69.0689697265625
}
| 1
|
AlF3
|
general_inorganic
| false
| null | 6.7775
| 0.271749
| -3.59402
| false
|
[
"halide"
] | null |
mp-645449
|
[
"Te",
"Au"
] |
[
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] | 60
| 2
|
[
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| 1
|
Te3Au2
|
hard_negative
| false
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| 0.035093
| -0.04672
| true
|
[
"metallic"
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mp-658803
|
[
"O",
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[
79,
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8,
8,
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8
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[
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| 1
|
Au2O3
|
general_inorganic
| false
| null | 0.739
| 0.026198
| -0.431656
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|
[
"oxide"
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mp-663422
|
[
"O",
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| 1
|
SiO2
|
general_inorganic
| false
| null | 4.3608
| 0.215933
| -3.056898
| false
|
[
"oxide",
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mp-664137
|
[
"S",
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| 1
|
GeS2
|
general_inorganic
| false
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| 0.018122
| -0.64524
| false
|
[
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mp-664980
|
[
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| 1
|
K2P3
|
general_inorganic
| false
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mp-673255
|
[
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34,
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| 1
|
Cu9Se8
|
hard_negative
| false
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| 0.011069
| -0.175528
| true
|
[
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] | null |
mp-673637
|
[
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0.6741189956665039,
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0.2558870017528534,
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0.24428099393844604
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[
0.9500719904899597,
0.9079779982566833,
0.13988399505615234
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{
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"alpha": 85.56635284423828,
"beta": 82.4105224609375,
"gamma": 78.7506332397461
}
| 1
|
U11O5
|
hard_negative
| false
| null | 0
| 0.337712
| -1.424744
| true
|
[
"oxide",
"metallic"
] | null |
mp-673673
|
[
"O",
"Nd"
] |
[
60,
60,
8,
8,
8,
8,
8,
8
] | 8
| 2
|
[
[
0.5337409973144531,
0.8116999864578247,
0.257425993680954
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[
0.3984909951686859,
0.16426999866962433,
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0.6934040188789368,
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0.3173770010471344,
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0.8056949973106384,
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0.13312000036239624
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[
0.9152839779853821,
0.4582659900188446,
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] |
{
"a": 4.188632965087891,
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"alpha": 82.81346893310547,
"beta": 105.5472412109375,
"gamma": 119.30154418945312
}
| 1
|
NdO3
|
hard_negative
| false
| null | 0
| 0.335965
| -2.033778
| true
|
[
"oxide",
"metallic"
] | null |
mp-673683
|
[
"P",
"Sn"
] |
[
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
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15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | 31
| 2
|
[
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0.2300180047750473,
0.637569010257721,
0.9421359896659851
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0.07945399731397629,
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0.5262579917907715,
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0.9010369777679443,
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0.6627950072288513,
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0.8589010238647461,
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0.605758011341095,
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0.9991710186004639
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[
0.8395019769668579,
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{
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"alpha": 89.532958984375,
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"gamma": 107.0761947631836
}
| 1
|
Sn16P15
|
hard_negative
| false
| null | 0
| 0.308828
| 0.304412
| true
|
[
"metallic"
] | null |
mp-673700
|
[
"Nb",
"Sb"
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[
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
51,
51,
51,
51,
51,
51,
51
] | 21
| 2
|
[
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0.8899509906768799,
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0.08312699943780899,
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0.2379930019378662,
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0.19268900156021118,
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0.7681220173835754,
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0.22946499288082123
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[
0.3625349998474121,
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] |
{
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"alpha": 83.20977020263672,
"beta": 86.29139709472656,
"gamma": 83.53630065917969
}
| 1
|
Nb2Sb
|
hard_negative
| false
| null | 0
| 0.32418
| -0.027746
| true
|
[
"metallic"
] | null |
mp-674644
|
[
"O",
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] |
[
83,
83,
83,
83,
83,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20
| 2
|
[
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0.17533299326896667,
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0.03827499970793724,
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0.5850679874420166,
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[
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{
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"gamma": 110.9488754272461
}
| 1
|
Bi2O3
|
general_inorganic
| false
| null | 0.6421
| 0.619885
| -1.021842
| false
|
[
"oxide"
] | null |
mp-674831
|
[
"S",
"Cu"
] |
[
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
16,
16,
16,
16,
16,
16
] | 18
| 2
|
[
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0.6108430027961731,
0.4820980131626129,
0.43603000044822693
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0.9139969944953918,
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0.8295140266418457,
0.058685000985860825
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[
0.7933239936828613,
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] |
{
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"alpha": 85.31397247314453,
"beta": 87.87342834472656,
"gamma": 65.67021942138672
}
| 1
|
Cu2S
|
hard_negative
| false
| null | 0
| 0.110945
| -0.101129
| true
|
[
"sulfide",
"metallic"
] | null |
mp-675211
|
[
"O",
"W"
] |
[
74,
74,
74,
74,
74,
74,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 28
| 2
|
[
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0.5020819902420044,
0.5202640295028687,
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[
0.2827039957046509,
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] |
{
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"alpha": 90.13587951660156,
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"gamma": 93.50203704833984
}
| 1
|
WO3
|
general_inorganic
| false
| null | 2.4793
| 0.130289
| -2.060571
| false
|
[
"oxide"
] | null |
mp-678007
|
[
"As",
"Sr"
] |
[
38,
38,
38,
38,
38,
38,
33,
33,
33,
33,
33,
33,
33,
33
] | 14
| 2
|
[
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0.4449490010738373,
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Ce16O27
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mp-684617
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hard_negative
| false
| null | 0
| 0.016493
| -3.933345
| true
|
[
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mp-684678
|
[
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| 1
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H2O
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mp-684691
|
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| 1
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Tm23Se32
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hard_negative
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mp-684726
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Te40Rh31
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mp-684881
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Mn27Sb26
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mp-684898
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Cu18S11
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{
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"gamma": 90.43331146240234
}
| 1
|
Ta22O21
|
hard_negative
| false
| null | 0
| 0.563254
| -1.724861
| true
|
[
"oxide",
"metallic"
] | null |
mp-684958
|
[
"O",
"Ta"
] |
[
73,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 11
| 2
|
[
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{
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"alpha": 94.36795043945312,
"beta": 90.32344055175781,
"gamma": 92.12012481689453
}
| 1
|
TaO10
|
hard_negative
| false
| null | 0
| 0.461465
| -0.60335
| true
|
[
"oxide",
"metallic"
] | null |
mp-684965
|
[
"Se",
"Zr"
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[
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34,
34,
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34
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| 2
|
[
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{
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| 1
|
ZrSe
|
hard_negative
| false
| null | 0
| 0.412376
| -1.144776
| true
|
[
"metallic"
] | null |
mp-684966
|
[
"O",
"Tb"
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[
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8,
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] | 42
| 2
|
[
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| 1
|
Tb8O13
|
hard_negative
| false
| null | 0
| 0.065857
| -3.726696
| true
|
[
"oxide",
"metallic"
] | null |
mp-684970
|
[
"Cu",
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[
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34,
34,
34,
34,
34,
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34,
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34
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| 2
|
[
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[
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] |
{
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"gamma": 117.59654998779297
}
| 1
|
Cu19Se11
|
hard_negative
| false
| null | 0
| 0.113323
| -0.060743
| true
|
[
"metallic"
] | null |
mp-684990
|
[
"O",
"Al"
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[
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8,
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] | 30
| 2
|
[
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[
0.5868449807167053,
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] |
{
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"gamma": 115.74175262451172
}
| 1
|
Al2O3
|
general_inorganic
| false
| null | 3.1085
| 0.194843
| -3.231708
| false
|
[
"oxide"
] | null |
mp-685023
|
[
"N",
"Sr"
] |
[
38,
38,
38,
38,
7,
7,
7
] | 7
| 2
|
[
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{
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| 1
|
K57Se34
|
hard_negative
| false
| null | 0
| 0.057859
| -1.164677
| true
|
[
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mp-685090
|
[
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| 1
|
Ga2O3
|
hard_negative
| false
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| 0.216996
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[
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mp-685099
|
[
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| 1
|
IrSe3
|
hard_negative
| false
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[
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mp-685107
|
[
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| 1
|
Cu9Se5
|
hard_negative
| false
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[
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mp-685108
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[
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| 1
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Cu9S5
|
hard_negative
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| 0.103372
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| true
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[
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mp-685153
|
[
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Fe2O3
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IF7
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general_inorganic
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mp-689684
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P2O5
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mp-694910
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Fe35O36
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| 1
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Cd7P10
|
general_inorganic
| false
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| false
| null | null |
mp-723352
|
[
"Li",
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| 1
|
Li2S
|
electrolyte_relevant
| true
| 22
| 1.9207
| 0.08199
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| false
|
[
"li",
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mp-723973
|
[
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[
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[
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| 1
|
Sc2Se3
|
hard_negative
| false
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| 5.744781
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| true
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[
"metallic"
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mp-726118
|
[
"N",
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[
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[
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| 1
|
NF2
|
hard_negative
| false
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[
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mp-733790
|
[
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] |
{
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| 1
|
SiO2
|
general_inorganic
| false
| null | 5.5868
| 0.006573
| -3.266258
| false
|
[
"oxide",
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] | null |
mp-752826
|
[
"O",
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] | 25
| 2
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[
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Al2O3
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general_inorganic
| false
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mp-753921
|
[
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Sb11S18
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mp-758800
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B84O11
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general_inorganic
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mp-759754
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Ti11O14
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mp-759920
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mp-760075
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Ti19O30
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mp-760747
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Bi25O38
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general_inorganic
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mp-767208
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[
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Sb17S27
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mp-770023
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Ag2Hg3
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mp-776135
|
[
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| 1
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Fe23O32
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mp-776583
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V9O22
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mp-776606
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Fe2O3
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mp-777129
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| 1
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TiO2
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mp-780521
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Cr19O48
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W3O10
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Fe32O35
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mp-974002
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OF3
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mp-1018888
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PdCl2
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general_inorganic
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mp-1041270
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[
0.8240389823913574,
0,
0.9702510237693787
],
[
0.32760900259017944,
0,
0.49508699774742126
],
[
0.5346459746360779,
0,
0.8195480108261108
],
[
0.9899709820747375,
0,
0.6721869707107544
],
[
0.17596100270748138,
0,
0.029749000445008278
],
[
0.019162999466061592,
0.5,
0.8635370135307312
],
[
0.12667100131511688,
0.5,
0.5306640267372131
],
[
0.37039101123809814,
0.5,
0.9695410132408142
],
[
0.4775170087814331,
0.5,
0.6295710206031799
],
[
0.5224829912185669,
0.5,
0.37042900919914246
],
[
0.8733289837837219,
0.5,
0.46933600306510925
],
[
0.6296089887619019,
0.5,
0.030458999797701836
],
[
0.9808369874954224,
0.5,
0.13646300137043
]
] |
{
"a": 9.90848445892334,
"b": 3.8877859115600586,
"c": 10.039666175842285,
"alpha": 90,
"beta": 90.34654998779297,
"gamma": 90
}
| 10
|
Sb4O9
|
hard_negative
| false
| null | 0
| 0.225813
| -1.564209
| true
|
[
"oxide",
"metallic"
] | null |
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