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mp-1194773
|
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| 14
|
SiS2
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[
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mp-1195
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| 14
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Ba3P14
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general_inorganic
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mp-1195383
|
[
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W3I8
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| 14
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KS3
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mp-1196867
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| 14
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LaN3
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mp-1197128
|
[
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Bi2O3
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mp-1197907
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| 14
|
Y5Si4
|
hard_negative
| false
| null | 0
| 0.010283
| -0.837268
| true
|
[
"metallic"
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mp-1199270
|
[
"Sb",
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| 14
|
Eu2Sb3
|
hard_negative
| false
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| -0.938136
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[
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mp-1199938
|
[
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{
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| 14
|
P2S7
|
general_inorganic
| false
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| 0
| -0.174099
| false
|
[
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mp-1200183
|
[
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{
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| 14
|
BS2
|
hard_negative
| false
| null | 0
| 0.424037
| -0.304933
| true
|
[
"sulfide",
"metallic"
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mp-12003
|
[
"Al",
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{
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| 14
|
Al9Ir2
|
hard_negative
| false
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| 0
| -0.565897
| true
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[
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mp-1200550
|
[
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| 2
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P4N7
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mp-1200885
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Y4C7
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mp-1201299
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P2O9
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mp-1201560
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| 14
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P7Pb
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general_inorganic
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mp-1201738
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TcI4
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mp-1204039
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[
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] |
{
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"alpha": 90,
"beta": 113.30331420898438,
"gamma": 90
}
| 14
|
CsBi
|
general_inorganic
| false
| null | 0.2452
| 0
| -0.51076
| false
| null | null |
mp-1205372
|
[
"Cl",
"V"
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[
23,
23,
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17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 20
| 2
|
[
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[
0.07513739168643951,
0.5712698101997375,
0.6905006170272827
]
] |
{
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"alpha": 90,
"beta": 102.22613525390625,
"gamma": 90
}
| 14
|
VCl4
|
hard_negative
| false
| null | 0
| 0
| -1.29806
| true
|
[
"halide",
"metallic"
] | null |
mp-1207529
|
[
"Zr",
"Pb"
] |
[
40,
40,
40,
40,
82,
82,
82,
82
] | 8
| 2
|
[
[
0.9780439734458923,
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0.021956000477075577,
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0.5163040161132812,
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0.7685959935188293
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[
0.48369601368904114,
0.8781669735908508,
0.23140400648117065
]
] |
{
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"alpha": 90,
"beta": 121.22053527832031,
"gamma": 90
}
| 14
|
ZrPb
|
hard_negative
| false
| null | 0
| 0.100572
| -0.199635
| true
|
[
"metallic"
] | null |
mp-1207978
|
[
"C",
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[
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6,
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6,
6,
6,
6,
6
] | 22
| 2
|
[
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[
0,
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[
0,
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0
]
] |
{
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"gamma": 90
}
| 14
|
Tm4C7
|
general_inorganic
| false
| null | 0.3698
| 0
| -0.498577
| false
| null | null |
mp-1208546
|
[
"Al",
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] |
[
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| 2
|
[
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[
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[
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[
0.668619692325592,
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[
0.668619692325592,
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[
0.33138033747673035,
0.6611050963401794,
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]
] |
{
"a": 9.827094078063965,
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"c": 16.219465255737305,
"alpha": 90,
"beta": 116.37902069091797,
"gamma": 90
}
| 14
|
Ta24Al19
|
hard_negative
| false
| null | 0
| 0.000836
| -0.315163
| true
|
[
"metallic"
] | null |
mp-1209849
|
[
"P",
"Nd"
] |
[
60,
60,
60,
60,
15,
15,
15,
15,
15,
15,
15,
15
] | 12
| 2
|
[
[
0.5802907347679138,
0.18505558371543884,
0.8579932451248169
],
[
0.4197092354297638,
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[
0.4197092354297638,
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[
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[
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[
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[
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[
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[
0.8057566285133362,
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[
0.19424335658550262,
0.37939077615737915,
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[
0.19424335658550262,
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0.5458031296730042
],
[
0.8057566285133362,
0.8793907761573792,
0.45419687032699585
]
] |
{
"a": 4.0379109382629395,
"b": 6.586938381195068,
"c": 10.144762992858887,
"alpha": 90,
"beta": 105.37325286865234,
"gamma": 90
}
| 14
|
NdP2
|
hard_negative
| false
| null | 0
| 0.019455
| -1.18992
| true
|
[
"metallic"
] | null |
mp-1212012
|
[
"K",
"Tl"
] |
[
19,
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19,
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19,
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| 14
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CF
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| 14
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C2S3
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mp-1214217
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| 14
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CCl2
|
general_inorganic
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mp-1214237
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CI2
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0.8032140135765076,
0.42557600140571594
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0.5502189993858337,
0.6967859864234924,
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0.44978100061416626,
0.30321401357650757,
0.07442399859428406
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0.3887310028076172,
0.3623420000076294,
0.70244300365448
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[
0.6112689971923828,
0.6376579999923706,
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0.6112689971923828,
0.8623420000076294,
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0.3887310028076172,
0.1376579999923706,
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[
0.898697018623352,
0.20037800073623657,
0.5410159826278687
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0.10130299627780914,
0.7996219992637634,
0.45898398756980896
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0.10130299627780914,
0.7003780007362366,
0.9589840173721313
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0.898697018623352,
0.2996219992637634,
0.041016001254320145
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0.5342860221862793,
0.3967919945716858,
0.8405539989471436
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0.4657140076160431,
0.6032080054283142,
0.15944600105285645
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0.4657140076160431,
0.8967919945716858,
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0.5342860221862793,
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0.6031969785690308,
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0.39680299162864685,
0.7689020037651062,
0.003656999906525016
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0.39680299162864685,
0.7310979962348938,
0.5036569833755493
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[
0.6031969785690308,
0.2689020037651062,
0.4963429868221283
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[
0.8993939757347107,
0.6692929863929749,
0.5434179902076721
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[
0.10060600191354752,
0.33070701360702515,
0.4565820097923279
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[
0.10060600191354752,
0.16929300129413605,
0.9565820097923279
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[
0.8993939757347107,
0.8307070136070251,
0.043418001383543015
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[
0.8693919777870178,
0.519428014755249,
0.8628060221672058
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[
0.13060800731182098,
0.480571985244751,
0.13719399273395538
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[
0.13060800731182098,
0.01942799985408783,
0.6371939778327942
],
[
0.8693919777870178,
0.980571985244751,
0.3628059923648834
]
] |
{
"a": 10.9654541015625,
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"c": 23.966699600219727,
"alpha": 90,
"beta": 114.66366577148438,
"gamma": 90
}
| 14
|
C8Cl5
|
general_inorganic
| false
| null | 2.0397
| 0.1309
| 0.051232
| false
|
[
"halide"
] | null |
mp-1214789
|
[
"B",
"Se"
] |
[
5,
5,
5,
5,
5,
5,
5,
5,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 24
| 2
|
[
[
0.6776302456855774,
0.6333796381950378,
0.7682034969329834
],
[
0.3223697543144226,
0.36662039160728455,
0.2317965179681778
],
[
0.3223697543144226,
0.13337960839271545,
0.7317965030670166
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[
0.6776302456855774,
0.8666203618049622,
0.268203467130661
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[
0.484203964471817,
0.8672094345092773,
0.7482631802558899
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[
0.5157960653305054,
0.13279058039188385,
0.2517368495464325
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[
0.5157960653305054,
0.36720943450927734,
0.7517368197441101
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[
0.484203964471817,
0.6327905654907227,
0.2482631653547287
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[
0.7456908822059631,
0.4647147059440613,
0.7770200967788696
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0.2543090879917145,
0.5352852940559387,
0.22297991812229156
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[
0.2543090879917145,
0.9647147059440613,
0.7229799032211304
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[
0.7456908822059631,
0.03528529033064842,
0.27702006697654724
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[
0.42358696460723877,
0.6977722644805908,
0.7411604523658752
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[
0.5764130353927612,
0.3022277355194092,
0.25883954763412476
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[
0.5764130353927612,
0.19777224957942963,
0.7588395476341248
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[
0.42358696460723877,
0.8022277355194092,
0.24116043746471405
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[
0.7427246570587158,
0.9219814538955688,
0.7763997912406921
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[
0.25727537274360657,
0.07801853120326996,
0.22360022366046906
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[
0.25727537274360657,
0.42198148369789124,
0.7236002087593079
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[
0.7427246570587158,
0.5780185461044312,
0.27639976143836975
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[
0.8957045674324036,
0.7360414266586304,
0.7896590828895569
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[
0.10429541021585464,
0.263958603143692,
0.21034091711044312
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[
0.10429541021585464,
0.23604141175746918,
0.7103409171104431
],
[
0.8957045674324036,
0.7639585733413696,
0.2896590828895569
]
] |
{
"a": 7.422351360321045,
"b": 11.256954193115234,
"c": 8.415666580200195,
"alpha": 90,
"beta": 117.83349609375,
"gamma": 90
}
| 14
|
BSe2
|
general_inorganic
| false
| null | 1.7712
| 0
| -0.194957
| false
| null | null |
mp-1224693
|
[
"K",
"U"
] |
[
19,
19,
19,
19,
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
92
] | 16
| 2
|
[
[
0.9319319725036621,
0.47561100125312805,
0.7127060294151306
],
[
0.0680679976940155,
0.9756109714508057,
0.7872939705848694
],
[
0.0680679976940155,
0.5243890285491943,
0.2872940003871918
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[
0.9319319725036621,
0.024389000609517097,
0.21270599961280823
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[
0.1678519994020462,
0.732554018497467,
0.6561099886894226
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[
0.16440199315547943,
0.22073499858379364,
0.6736950278282166
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[
0.8355979919433594,
0.7207350134849548,
0.8263049721717834
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[
0.832148015499115,
0.23255400359630585,
0.8438900113105774
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[
0.832148015499115,
0.26744601130485535,
0.3438900113105774
],
[
0.8355979919433594,
0.7792649865150452,
0.32630500197410583
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[
0.16440199315547943,
0.27926498651504517,
0.17369499802589417
],
[
0.1678519994020462,
0.767445981502533,
0.1561100035905838
],
[
0.5066329836845398,
0.768992006778717,
0.4957030117511749
],
[
0.4933669865131378,
0.23100799322128296,
0.5042970180511475
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[
0.5066329836845398,
0.731007993221283,
0.9957029819488525
],
[
0.4933669865131378,
0.26899200677871704,
0.004296999890357256
]
] |
{
"a": 4.844841957092285,
"b": 14.830521583557129,
"c": 9.604957580566406,
"alpha": 90,
"beta": 120.3486557006836,
"gamma": 90
}
| 14
|
KU3
|
hard_negative
| false
| null | 0
| 0.87797
| 0.87797
| true
|
[
"metallic"
] | null |
mp-1229
|
[
"F",
"Cu"
] |
[
29,
29,
9,
9,
9,
9
] | 6
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.2375720590353012,
0.7992122173309326,
0.206887349486351
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[
0.7624279260635376,
0.2992122173309326,
0.2931126356124878
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[
0.2375720590353012,
0.7007877826690674,
0.7068873643875122
],
[
0.7624279260635376,
0.20078778266906738,
0.7931126356124878
]
] |
{
"a": 3.291421413421631,
"b": 4.523318290710449,
"c": 5.306227207183838,
"alpha": 90,
"beta": 120.46714782714844,
"gamma": 90
}
| 14
|
CuF2
|
hard_negative
| false
| null | 0
| 0
| -1.81503
| true
|
[
"halide",
"metallic"
] | null |
mp-1232155
|
[
"S",
"Eu"
] |
[
63,
63,
63,
63,
16,
16,
16,
16,
16,
16,
16,
16
] | 12
| 2
|
[
[
0.12943653762340546,
0.26105350255966187,
0.29381662607192993
],
[
0.37056344747543335,
0.7610535025596619,
0.7061833739280701
],
[
0.8705634474754333,
0.7389464974403381,
0.7061833739280701
],
[
0.6294365525245667,
0.23894649744033813,
0.29381662607192993
],
[
0.09517493844032288,
0.8312059640884399,
0.0004568450094666332
],
[
0.4048250615596771,
0.33120596408843994,
0.9995431303977966
],
[
0.9048250913619995,
0.16879405081272125,
0.9995431303977966
],
[
0.5951749086380005,
0.6687940359115601,
0.0004568450094666332
],
[
0.12377714365720749,
0.258228600025177,
0.6379013061523438
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[
0.3762228488922119,
0.758228600025177,
0.36209869384765625
],
[
0.8762228488922119,
0.741771399974823,
0.36209869384765625
],
[
0.6237771511077881,
0.2417713850736618,
0.6379013061523438
]
] |
{
"a": 7.928868293762207,
"b": 4.037811756134033,
"c": 8.388310432434082,
"alpha": 90,
"beta": 90.59884643554688,
"gamma": 90
}
| 14
|
EuS2
|
hard_negative
| false
| null | 0
| 0.041497
| -1.623697
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1232221
|
[
"Se",
"Pm"
] |
[
61,
61,
61,
61,
34,
34,
34,
34,
34,
34,
34,
34
] | 12
| 2
|
[
[
0.6265421509742737,
0.27902984619140625,
0.27465492486953735
],
[
0.37345781922340393,
0.7209701538085938,
0.7253450751304626
],
[
0.12654218077659607,
0.22097015380859375,
0.27465492486953735
],
[
0.8734578490257263,
0.7790298461914062,
0.7253450751304626
],
[
0.38198256492614746,
0.1828174740076065,
0.9977020621299744
],
[
0.8746045231819153,
0.7570352554321289,
0.36850792169570923
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[
0.12539547681808472,
0.2429647594690323,
0.6314920783042908
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[
0.6253954768180847,
0.2570352256298065,
0.6314920783042908
],
[
0.11801744252443314,
0.6828174591064453,
0.0022979199420660734
],
[
0.3746045231819153,
0.7429647445678711,
0.36850792169570923
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[
0.6180174350738525,
0.8171825408935547,
0.0022979199420660734
],
[
0.8819825649261475,
0.3171825408935547,
0.9977020621299744
]
] |
{
"a": 8.38218879699707,
"b": 4.167006492614746,
"c": 8.463261604309082,
"alpha": 90,
"beta": 90.19613647460938,
"gamma": 90
}
| 14
|
PmSe2
|
hard_negative
| false
| null | 0
| 0
| -1.883217
| true
|
[
"metallic"
] | null |
mp-1232276
|
[
"S",
"Pm"
] |
[
61,
61,
61,
61,
16,
16,
16,
16,
16,
16,
16,
16
] | 12
| 2
|
[
[
0.6293388605117798,
0.2892516851425171,
0.2757091224193573
],
[
0.8706611394882202,
0.7892516851425171,
0.7242908477783203
],
[
0.3706611096858978,
0.7107483148574829,
0.7242908477783203
],
[
0.12933889031410217,
0.21074829995632172,
0.2757091224193573
],
[
0.6076229214668274,
0.8447974324226379,
0.0029396850150078535
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[
0.8923770785331726,
0.34479743242263794,
0.9970602989196777
],
[
0.3923770487308502,
0.15520255267620087,
0.9970602989196777
],
[
0.10762293636798859,
0.6552025675773621,
0.0029396850150078535
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[
0.6256406307220459,
0.2614138424396515,
0.6325507760047913
],
[
0.8743593692779541,
0.7614138126373291,
0.36744919419288635
],
[
0.3743593692779541,
0.7385861873626709,
0.36744919419288635
],
[
0.1256406456232071,
0.2385861575603485,
0.6325507760047913
]
] |
{
"a": 8.01506519317627,
"b": 4.016850471496582,
"c": 8.068696022033691,
"alpha": 90,
"beta": 90.10899353027344,
"gamma": 90
}
| 14
|
PmS2
|
general_inorganic
| false
| null | 0.4328
| 0
| -2.021422
| false
|
[
"sulfide"
] | null |
mp-1232280
|
[
"S",
"Sm"
] |
[
62,
62,
62,
62,
16,
16,
16,
16,
16,
16,
16,
16
] | 12
| 2
|
[
[
0.12928907573223114,
0.28898781538009644,
0.27565401792526245
],
[
0.37071090936660767,
0.7889878153800964,
0.7243459820747375
],
[
0.8707109093666077,
0.7110121846199036,
0.7243459820747375
],
[
0.6292890906333923,
0.21101218461990356,
0.27565401792526245
],
[
0.10820496827363968,
0.8438606858253479,
0.002978410106152296
],
[
0.3917950391769409,
0.3438606560230255,
0.9970216155052185
],
[
0.8917950391769409,
0.1561393439769745,
0.9970216155052185
],
[
0.6082049608230591,
0.6561393141746521,
0.002978410106152296
],
[
0.12559646368026733,
0.26131248474121094,
0.6323366761207581
],
[
0.37440353631973267,
0.7613124847412109,
0.36766332387924194
],
[
0.8744035363197327,
0.7386875152587891,
0.36766332387924194
],
[
0.6255964636802673,
0.23868753015995026,
0.6323366761207581
]
] |
{
"a": 7.980393409729004,
"b": 3.994685173034668,
"c": 8.036463737487793,
"alpha": 90,
"beta": 90.10853576660156,
"gamma": 90
}
| 14
|
SmS2
|
general_inorganic
| false
| null | 0.5285
| 0
| -2.071065
| false
|
[
"sulfide"
] | null |
mp-1247
|
[
"Sb",
"Ir"
] |
[
51,
51,
51,
51,
51,
51,
51,
51,
77,
77,
77,
77
] | 12
| 2
|
[
[
0.14912182092666626,
0.1340225636959076,
0.8779574036598206
],
[
0.8508781790733337,
0.6340225338935852,
0.6220425963401794
],
[
0.8508781790733337,
0.8659774661064148,
0.12204261124134064
],
[
0.14912182092666626,
0.3659774363040924,
0.37795740365982056
],
[
0.3451109528541565,
0.6370458602905273,
0.17804427444934845
],
[
0.6548890471458435,
0.13704584538936615,
0.32195574045181274
],
[
0.6548890471458435,
0.36295416951179504,
0.8219557404518127
],
[
0.3451109528541565,
0.8629541397094727,
0.6780442595481873
],
[
0.2712053060531616,
0.4993182122707367,
0.7902528047561646
],
[
0.7287946939468384,
0.9993181824684143,
0.7097471952438354
],
[
0.7287946939468384,
0.5006818175315857,
0.20974719524383545
],
[
0.2712053060531616,
0.0006817899993620813,
0.29025280475616455
]
] |
{
"a": 6.652453899383545,
"b": 6.592162609100342,
"c": 6.747318744659424,
"alpha": 90,
"beta": 114.7758560180664,
"gamma": 90
}
| 14
|
Sb2Ir
|
general_inorganic
| false
| null | 0.5099
| 0
| -0.452823
| false
| null | null |
mp-1250007
|
[
"Si",
"Se"
] |
[
14,
14,
14,
14,
14,
14,
14,
14,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 24
| 2
|
[
[
0.8792390823364258,
0.9354577660560608,
0.8813420534133911
],
[
0.6207609176635742,
0.4354577660560608,
0.11865793913602829
],
[
0.12076090276241302,
0.06454222649335861,
0.11865793913602829
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[
0.37923911213874817,
0.5645422339439392,
0.8813420534133911
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[
0.6483100056648254,
0.8045809864997864,
0.6489086747169495
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[
0.8516899943351746,
0.30458101630210876,
0.35109132528305054
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[
0.35168999433517456,
0.19541898369789124,
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[
0.14831000566482544,
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0.6489086747169495
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[
0.7665879726409912,
0.8212595582008362,
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[
0.7334120273590088,
0.3212595582008362,
0.998624324798584
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[
0.2334120273590088,
0.178740456700325,
0.998624324798584
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[
0.2665879726409912,
0.6787404417991638,
0.0013756999978795648
],
[
0.7781416177749634,
0.6944519877433777,
0.5243368148803711
],
[
0.7218583822250366,
0.1944519728422165,
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| 14
|
SiO2
|
general_inorganic
| false
| null | 5.6869
| 0.020524
| -3.252308
| false
|
[
"oxide",
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mp-1339908
|
[
"F",
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| 14
|
TaF5
|
general_inorganic
| false
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| 0.075438
| -3.329028
| false
|
[
"halide"
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mp-1341935
|
[
"F",
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| 14
|
SbF5
|
general_inorganic
| false
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| -2.573333
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[
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mp-1350597
|
[
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{
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| 14
|
BeF2
|
general_inorganic
| false
| null | 6.7317
| 0.114769
| -3.436306
| false
|
[
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mp-13567
|
[
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[
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| 2
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[
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{
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}
| 14
|
CeS2
|
hard_negative
| false
| null | 0
| 0.000928
| -2.048514
| true
|
[
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] | null |
mp-13568
|
[
"S",
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[
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] | 12
| 2
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[
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{
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| 14
|
NdS2
|
general_inorganic
| false
| null | 0.3379
| 0
| -2.015936
| false
|
[
"sulfide"
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mp-1359089
|
[
"S",
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[
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| 2
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[
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}
| 14
|
Sb2S5
|
hard_negative
| false
| null | 0
| 0.080122
| -0.125052
| true
|
[
"sulfide",
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mp-1367785
|
[
"F",
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{
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}
| 14
|
WF5
|
general_inorganic
| false
| null | 2.9429
| 0.015529
| -2.717415
| false
|
[
"halide"
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mp-1369219
|
[
"F",
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[
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[
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{
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| 14
|
BiF5
|
general_inorganic
| false
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| 0.014832
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| false
|
[
"halide"
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mp-1374127
|
[
"F",
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[
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{
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| 14
|
CrF5
|
general_inorganic
| false
| null | 1.1668
| 0.046038
| -2.263765
| false
|
[
"halide"
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mp-1379489
|
[
"F",
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{
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| 14
|
MoF5
|
general_inorganic
| false
| null | 1.926
| 0.058052
| -2.573109
| false
|
[
"halide"
] | null |
mp-1392
|
[
"P",
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[
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] | 24
| 2
|
[
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{
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}
| 14
|
ZnP2
|
general_inorganic
| false
| null | 0.748
| 0.001149
| -0.314276
| false
| null | null |
mp-13961
|
[
"As",
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[
60,
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60,
33,
33,
33,
33,
33,
33,
33,
33
] | 12
| 2
|
[
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[
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] |
{
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}
| 14
|
NdAs2
|
hard_negative
| false
| null | 0.0394
| 0.020311
| -1.167139
| false
| null | null |
mp-14285
|
[
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[
27,
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15,
15,
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15,
15
] | 12
| 2
|
[
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[
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{
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"alpha": 90,
"beta": 114.32627868652344,
"gamma": 90
}
| 14
|
CoP2
|
general_inorganic
| false
| null | 0.4378
| 0
| -0.506289
| false
| null | null |
mp-1443
|
[
"F",
"Sn"
] |
[
50,
50,
50,
50,
50,
50,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 22
| 2
|
[
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[
0.7344710826873779,
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{
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"alpha": 90,
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"gamma": 90
}
| 14
|
Sn3F8
|
general_inorganic
| false
| null | 3.1684
| 0
| -2.537929
| false
|
[
"halide"
] | null |
mp-15177
|
[
"C",
"Ho"
] |
[
67,
67,
67,
67,
67,
67,
67,
67,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22
| 2
|
[
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0.533767580986023,
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0.37978193163871765,
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[
0.6202180981636047,
0.8034400343894958,
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] |
{
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"alpha": 90,
"beta": 104.73452758789062,
"gamma": 90
}
| 14
|
Ho4C7
|
hard_negative
| false
| null | 0
| 0.004326
| -0.281795
| true
|
[
"metallic"
] | null |
mp-15178
|
[
"C",
"Lu"
] |
[
71,
71,
71,
71,
71,
71,
71,
71,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22
| 2
|
[
[
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[
0.6340215802192688,
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0.9421754479408264,
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0.9421754479408264,
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0,
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[
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0.26757100224494934,
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0.26757100224494934,
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[
0.6225292682647705,
0.8024736642837524,
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] |
{
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"c": 6.257424831390381,
"alpha": 90,
"beta": 105.32951354980469,
"gamma": 90
}
| 14
|
Lu4C7
|
hard_negative
| false
| null | 0
| 0
| -0.322772
| true
|
[
"metallic"
] | null |
mp-1524394
|
[
"O",
"W"
] |
[
74,
74,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | 12
| 2
|
[
[
0.22891859710216522,
0.5071614980697632,
0.5146949887275696
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[
0.7710813879966736,
0.007161490153521299,
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0.6091129779815674,
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0.6091129779815674,
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0.1129794493317604,
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0.1129794493317604,
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0.8870205283164978,
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0.7660573124885559
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[
0.8870205283164978,
0.7227078080177307,
0.2660573124885559
]
] |
{
"a": 5.566814422607422,
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"c": 5.692983627319336,
"alpha": 90,
"beta": 120.58196258544922,
"gamma": 90
}
| 14
|
WO2
|
hard_negative
| false
| null | 0
| 0
| -2.067518
| true
|
[
"oxide",
"metallic"
] | null |
mp-1544359
|
[
"Pd",
"Bi"
] |
[
83,
83,
83,
83,
83,
83,
83,
83,
46,
46,
46,
46,
46,
46,
46,
46
] | 16
| 2
|
[
[
0.12039037048816681,
0.6394892930984497,
0.41868287324905396
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[
0.8796096444129944,
0.1394892781972885,
0.08131711930036545
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0.6510931849479675,
0.6426587700843811,
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0.34890681505203247,
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0.8796096444129944,
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0.34890681505203247,
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0.17347951233386993,
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0.8265205025672913,
0.4089551866054535,
0.05906495824456215
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0.6012169718742371,
0.9193084836006165,
0.838987410068512
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0.3987830579280853,
0.41930848360061646,
0.661012589931488
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[
0.8265205025672913,
0.09104479849338531,
0.5590649843215942
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[
0.17347951233386993,
0.5910447835922241,
0.9409350156784058
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0.3987830579280853,
0.08069151639938354,
0.16101260483264923
],
[
0.6012169718742371,
0.5806915163993835,
0.3389873802661896
]
] |
{
"a": 5.633381366729736,
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"c": 5.718191623687744,
"alpha": 90,
"beta": 99.66502380371094,
"gamma": 90
}
| 14
|
BiPd
|
hard_negative
| false
| null | 0
| 0.040218
| -0.259241
| true
|
[
"metallic"
] | null |
mp-1545216
|
[
"O",
"Na"
] |
[
11,
11,
11,
11,
8,
8,
8,
8,
8,
8,
8,
8
] | 12
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
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[
0,
0,
0
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[
0.5695496797561646,
0.07605398446321487,
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[
0.9246418476104736,
0.9373254179954529,
0.41713881492614746
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0.4373254179954529,
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[
0.43045035004615784,
0.5760539770126343,
0.5646963119506836
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[
0.5695496797561646,
0.4239460229873657,
0.435303658246994
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[
0.9246418476104736,
0.5626745820045471,
0.9171388149261475
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[
0.07535813003778458,
0.06267458200454712,
0.5828611850738525
],
[
0.43045035004615784,
0.9239460229873657,
0.06469632685184479
]
] |
{
"a": 5.393603801727295,
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"c": 5.4149861335754395,
"alpha": 90,
"beta": 94.79773712158203,
"gamma": 90
}
| 14
|
NaO2
|
general_inorganic
| false
| null | 0.4836
| 0
| -0.907729
| false
|
[
"oxide"
] | null |
mp-15649
|
[
"As",
"Ir"
] |
[
33,
33,
33,
33,
33,
33,
33,
33,
77,
77,
77,
77
] | 12
| 2
|
[
[
0.8455833196640015,
0.125998854637146,
0.12588436901569366
],
[
0.15441666543483734,
0.625998854637146,
0.37411561608314514
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[
0.15441666543483734,
0.874001145362854,
0.8741156458854675
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[
0.8455833196640015,
0.374001145362854,
0.6258843541145325
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[
0.6617295742034912,
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0.8161208629608154
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[
0.3382703959941864,
0.12886184453964233,
0.6838791370391846
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0.3382703959941864,
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0.6617295742034912,
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0.3161208927631378
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[
0.727787435054779,
0.5004474520683289,
0.20848168432712555
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[
0.27221259474754333,
0.000447450001956895,
0.29151833057403564
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[
0.27221259474754333,
0.49955254793167114,
0.7915183305740356
],
[
0.727787435054779,
0.9995525479316711,
0.7084816694259644
]
] |
{
"a": 6.093720436096191,
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"c": 6.194007396697998,
"alpha": 90,
"beta": 112.83313751220703,
"gamma": 90
}
| 14
|
As2Ir
|
general_inorganic
| false
| null | 0.8155
| 0
| -0.571073
| false
| null | null |
mp-1592
|
[
"Ag",
"Te"
] |
[
47,
47,
47,
47,
47,
47,
47,
47,
52,
52,
52,
52
] | 12
| 2
|
[
[
0.03475411981344223,
0.11261703819036484,
0.6599057912826538
],
[
0.9652459025382996,
0.612617015838623,
0.8400942087173462
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[
0.9652459025382996,
0.887382984161377,
0.3400941789150238
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[
0.03475411981344223,
0.38738295435905457,
0.1599058210849762
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[
0.33525100350379944,
0.8607743382453918,
0.3469446301460266
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[
0.6647489666938782,
0.36077430844306946,
0.15305538475513458
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[
0.6647489666938782,
0.13922567665576935,
0.6530553698539734
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[
0.33525100350379944,
0.6392256617546082,
0.8469446301460266
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[
0.2720075845718384,
0.14522795379161835,
0.030444249510765076
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[
0.7279924154281616,
0.6452279686927795,
0.46955573558807373
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[
0.7279924154281616,
0.8547720313072205,
0.9695557355880737
],
[
0.2720075845718384,
0.35477206110954285,
0.5304442644119263
]
] |
{
"a": 7.957018852233887,
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"c": 9.060293197631836,
"alpha": 90,
"beta": 121.63583374023438,
"gamma": 90
}
| 14
|
Ag2Te
|
hard_negative
| false
| null | 0
| 0
| -0.09519
| true
|
[
"metallic"
] | null |
mp-15953
|
[
"P",
"Rh"
] |
[
15,
15,
15,
15,
15,
15,
15,
15,
45,
45,
45,
45
] | 12
| 2
|
[
[
0.8397890329360962,
0.11962760239839554,
0.133150115609169
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[
0.1602109968662262,
0.6196275949478149,
0.3668498694896698
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[
0.1602109968662262,
0.8803724050521851,
0.8668498992919922
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[
0.8397890329360962,
0.38037240505218506,
0.6331501007080078
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[
0.6657137870788574,
0.6221053004264832,
0.8127102255821228
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[
0.3342862129211426,
0.12210529297590256,
0.6872897744178772
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[
0.3342862129211426,
0.37789469957351685,
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[
0.6657137870788574,
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[
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[
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[
0.727868914604187,
0.9982509016990662,
0.7102481126785278
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] |
{
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"c": 5.853886604309082,
"alpha": 90,
"beta": 112.3584976196289,
"gamma": 90
}
| 14
|
P2Rh
|
general_inorganic
| false
| null | 0.3705
| 0
| -0.726723
| false
| null | null |
mp-15954
|
[
"As",
"Rh"
] |
[
33,
33,
33,
33,
33,
33,
33,
33,
45,
45,
45,
45
] | 12
| 2
|
[
[
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0.12773610651493073,
0.12993916869163513
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[
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0.3385425806045532,
0.12886811792850494,
0.6824385523796082
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0.3385425806045532,
0.37113186717033386,
0.18243856728076935
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[
0.6614574193954468,
0.8711318969726562,
0.31756141781806946
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0.7279109358787537,
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0.2720890939235687,
0.0011011300375685096,
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0.2720890939235687,
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0.7890987396240234
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[
0.7279109358787537,
0.9988988637924194,
0.7109012603759766
]
] |
{
"a": 6.0883870124816895,
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"c": 6.178897380828857,
"alpha": 90,
"beta": 114.09723663330078,
"gamma": 90
}
| 14
|
As2Rh
|
general_inorganic
| false
| null | 0.2625
| 0
| -0.572593
| false
| null | null |
mp-1605
|
[
"O",
"Ag"
] |
[
47,
47,
47,
47,
47,
47,
8,
8,
8,
8,
8,
8,
8,
8
] | 14
| 2
|
[
[
0.21320222318172455,
0.8583855032920837,
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[
0.7867977619171143,
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0.21320222318172455,
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[
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0.5
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0.5462419986724854,
0.3089694082736969,
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0.45375800132751465,
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0.9751924276351929,
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0.024807600304484367,
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0.7265210151672363
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[
0.9751924276351929,
0.044698040932416916,
0.7734789848327637
]
] |
{
"a": 3.6010305881500244,
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"c": 5.676299095153809,
"alpha": 90,
"beta": 104.60375213623047,
"gamma": 90
}
| 14
|
Ag3O4
|
hard_negative
| false
| null | 0
| 0
| -0.401446
| true
|
[
"oxide",
"metallic"
] | null |
mp-1618
|
[
"P",
"Pd"
] |
[
15,
15,
15,
15,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | 28
| 2
|
[
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0.8769661784172058,
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0.4701634347438812,
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0.3795750141143799,
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0.041894230991601944,
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0.958105742931366,
0.8647980690002441,
0.9339883923530579
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0.958105742931366,
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0.43398839235305786
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[
0.041894230991601944,
0.13520196080207825,
0.06601162254810333
]
] |
{
"a": 5.709237575531006,
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"c": 8.283682823181152,
"alpha": 90,
"beta": 110.29930877685547,
"gamma": 90
}
| 14
|
PPd6
|
hard_negative
| false
| null | 0
| 0
| -0.313427
| true
|
[
"metallic"
] | null |
mp-1645
|
[
"Al",
"Rh"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
45,
45,
45,
45
] | 22
| 2
|
[
[
0.5,
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0
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[
0.5,
0,
0.5
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[
0.7121152281761169,
0.6054321527481079,
0.5387778878211975
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0.28788480162620544,
0.10543213784694672,
0.9612221121788025
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0.09738451987504959,
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0.8886936902999878,
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0.597680389881134,
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0.4023195803165436,
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0.28788480162620544,
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0.7638071179389954,
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0.23619291186332703,
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0.23619291186332703,
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0.16901281476020813
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[
0.7638071179389954,
0.8771678805351257,
0.33098718523979187
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] |
{
"a": 6.321863651275635,
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"c": 8.657774925231934,
"alpha": 90,
"beta": 95.22700500488281,
"gamma": 90
}
| 14
|
Al9Rh2
|
hard_negative
| false
| null | 0
| 0
| -0.524022
| true
|
[
"metallic"
] | null |
mp-16488
|
[
"Al",
"Co"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
27,
27,
27,
27
] | 22
| 2
|
[
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0
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0.9067324995994568,
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0.093267522752285,
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0.9067324995994568,
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0.23605172336101532,
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[
0.7639482617378235,
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] |
{
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"c": 8.455737113952637,
"alpha": 90,
"beta": 95.18179321289062,
"gamma": 90
}
| 14
|
Al9Co2
|
hard_negative
| false
| null | 0
| 0
| -0.29703
| true
|
[
"metallic"
] | null |
mp-16897
|
[
"Sr",
"Sb"
] |
[
38,
38,
38,
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51,
51,
51,
51,
51,
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51,
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51,
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] | 40
| 2
|
[
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] |
{
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}
| 14
|
Sr2Sb3
|
general_inorganic
| false
| null | 0.1559
| 0
| -0.91373
| false
| null | null |
mp-16922
|
[
"Sb",
"Ba"
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[
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] | 40
| 2
|
[
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0.5047255754470825,
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] |
{
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"alpha": 90,
"beta": 90.2601318359375,
"gamma": 90
}
| 14
|
Ba2Sb3
|
general_inorganic
| false
| null | 0.3248
| 0
| -0.962356
| false
| null | null |
mp-17407
|
[
"F",
"Au"
] |
[
79,
79,
79,
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9,
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9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 22
| 2
|
[
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[
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{
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}
| 14
|
Au3F8
|
general_inorganic
| false
| null | 0.5426
| 0
| -1.089517
| false
|
[
"halide"
] | null |
mp-1806
|
[
"O",
"Rb"
] |
[
37,
37,
37,
37,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 16
| 2
|
[
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[
0.3147920072078705,
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] |
{
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"gamma": 90
}
| 14
|
RbO3
|
general_inorganic
| false
| null | 0.8986
| 0.08276
| -0.646435
| false
|
[
"oxide"
] | null |
mp-1853
|
[
"P",
"Sr"
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[
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15,
15,
15,
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15,
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15,
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15
] | 34
| 2
|
[
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{
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}
| 14
|
Sr3P14
|
general_inorganic
| false
| null | 1.8291
| 0.003371
| -0.543165
| false
| null | null |
mp-18856
|
[
"O",
"Mo"
] |
[
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42,
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42,
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8,
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8,
8,
8,
8,
8,
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8,
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] | 32
| 2
|
[
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[
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] |
{
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"gamma": 90
}
| 14
|
MoO3
|
general_inorganic
| false
| null | 1.3714
| 0.00007
| -1.924572
| false
|
[
"oxide"
] | null |
mp-1945
|
[
"Cu",
"Nd"
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[
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29,
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29,
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29,
29,
29,
29,
29,
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29,
29
] | 28
| 2
|
[
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[
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] |
{
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"alpha": 90,
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"gamma": 90
}
| 14
|
NdCu6
|
hard_negative
| false
| null | 0
| 0.010676
| -0.128059
| true
|
[
"metallic"
] | null |
mp-200
|
[
"P",
"La"
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[
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15,
15
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| 2
|
[
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{
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}
| 14
|
LaP7
|
general_inorganic
| false
| null | 0.8617
| 0
| -0.514802
| false
| null | null |
mp-20078
|
[
"O",
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[
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8,
8,
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8,
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8,
8
] | 20
| 2
|
[
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{
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}
| 14
|
Pb2O3
|
general_inorganic
| false
| null | 1.0749
| 0.009436
| -1.393345
| false
|
[
"oxide"
] | null |
mp-2035237
|
[
"Cl",
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[
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17,
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] | 24
| 2
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[
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{
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}
| 14
|
PbCl2
|
general_inorganic
| false
| null | 2.9382
| 0.013686
| -1.295052
| false
|
[
"halide"
] | null |
mp-2084
|
[
"Si",
"Ir"
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[
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| 2
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[
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] |
{
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"alpha": 90,
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"gamma": 90
}
| 14
|
Si5Ir3
|
general_inorganic
| false
| null | 0.9438
| 0
| -0.67346
| false
| null | null |
mp-2220540
|
[
"O",
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[
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8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 22
| 2
|
[
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[
0.427091509103775,
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] |
{
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"alpha": 90,
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"gamma": 90
}
| 14
|
Cr3O8
|
general_inorganic
| false
| null | 0.589
| 0.046633
| -1.652324
| false
|
[
"oxide"
] | null |
mp-2236
|
[
"Ir",
"U"
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[
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92,
92,
92,
92,
92,
92,
92,
77,
77,
77,
77,
77,
77,
77,
77
] | 16
| 2
|
[
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0.08753000199794769,
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0.4121420085430145,
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0.33877599239349365,
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0.09114199876785278
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[
0.16122399270534515,
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0.9088580012321472
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[
0.9121419787406921,
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0.643248975276947
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[
0.5878580212593079,
0.8963609933853149,
0.3567509949207306
]
] |
{
"a": 5.594366073608398,
"b": 10.56015396118164,
"c": 5.640734672546387,
"alpha": 90,
"beta": 99.38056945800781,
"gamma": 90
}
| 14
|
UIr
|
hard_negative
| false
| null | 0
| 0.000158
| -0.496807
| true
|
[
"metallic"
] | null |
mp-22652
|
[
"S",
"Fe"
] |
[
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 24
| 2
|
[
[
0.45910701155662537,
0.2742759883403778,
0.9235820174217224
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[
0.540893018245697,
0.7742760181427002,
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0.540893018245697,
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0.07641799747943878
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0.45910701155662537,
0.225723996758461,
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[
0.1736070066690445,
0.7080810070037842,
0.7107359766960144
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0.8263930082321167,
0.20808100700378418,
0.7892640233039856
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[
0.8263930082321167,
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0.2892639935016632
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0.1736070066690445,
0.7919189929962158,
0.2107360064983368
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0.09142100065946579,
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0.5620269775390625
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0.9085789918899536,
0.8012019991874695,
0.9379730224609375
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0.9085789918899536,
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0.09142100065946579,
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0.5927309989929199,
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0.4072690010070801,
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0.4072690010070801,
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0.5927309989929199,
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0.7584720253944397,
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0.02434699982404709
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[
0.2415280044078827,
0.9144530296325684,
0.4756529927253723
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0.2415280044078827,
0.5855469703674316,
0.9756529927253723
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[
0.7584720253944397,
0.08554700016975403,
0.5243470072746277
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[
0.8687059879302979,
0.5670679807662964,
0.690201997756958
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[
0.13129399716854095,
0.06706800311803818,
0.809798002243042
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[
0.13129399716854095,
0.4329319894313812,
0.309798002243042
],
[
0.8687059879302979,
0.9329320192337036,
0.190201997756958
]
] |
{
"a": 6.5203962326049805,
"b": 5.646799087524414,
"c": 7.940892219543457,
"alpha": 90,
"beta": 91.09275817871094,
"gamma": 90
}
| 14
|
FeS
|
hard_negative
| false
| null | 0.0349
| 0.165905
| -0.591536
| false
|
[
"sulfide"
] | null |
mp-2287
|
[
"Si",
"Rh"
] |
[
14,
14,
14,
14,
45,
45,
45,
45
] | 8
| 2
|
[
[
0.2153063267469406,
0.35429295897483826,
0.9454514980316162
],
[
0.7846936583518982,
0.8542929887771606,
0.5545485019683838
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[
0.7846936583518982,
0.6457070112228394,
0.05454852059483528
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[
0.2153063267469406,
0.14570702612400055,
0.4454514682292938
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[
0.700146496295929,
0.35721102356910706,
0.3796086013317108
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[
0.29985353350639343,
0.8572110533714294,
0.12039141356945038
],
[
0.29985353350639343,
0.6427889466285706,
0.6203914284706116
],
[
0.700146496295929,
0.14278897643089294,
0.8796085715293884
]
] |
{
"a": 4.565163612365723,
"b": 4.567505836486816,
"c": 5.595190525054932,
"alpha": 90,
"beta": 114.78778076171875,
"gamma": 90
}
| 14
|
SiRh
|
hard_negative
| false
| null | 0
| 0.024562
| -0.816308
| true
|
[
"metallic"
] | null |
mp-23170
|
[
"O",
"I"
] |
[
53,
53,
53,
53,
53,
53,
53,
53,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 24
| 2
|
[
[
0.14023803174495697,
0.12623780965805054,
0.31474539637565613
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[
0.8597619533538818,
0.6262378096580505,
0.18525460362434387
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0.8597619533538818,
0.8737621903419495,
0.6852546334266663
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0.14023803174495697,
0.37376219034194946,
0.8147453665733337
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[
0.6823684573173523,
0.25406259298324585,
0.8572386503219604
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0.3176315128803253,
0.7540625929832458,
0.6427613496780396
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[
0.3176315128803253,
0.7459374070167542,
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0.6823684573173523,
0.24593740701675415,
0.35723868012428284
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[
0.9412683844566345,
0.25945183634757996,
0.4914824962615967
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0.05873161181807518,
0.7594518661499023,
0.008517489768564701
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[
0.05873161181807518,
0.7405481338500977,
0.5085175037384033
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[
0.9412683844566345,
0.24054816365242004,
0.9914824962615967
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[
0.6819342374801636,
0.34693631529808044,
0.6551496386528015
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[
0.3180657923221588,
0.8469362854957581,
0.8448503613471985
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[
0.3180657923221588,
0.6530637145042419,
0.3448503911495209
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[
0.6819342374801636,
0.15306368470191956,
0.15514960885047913
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[
0.3093104660511017,
0.044014450162649155,
0.5568419694900513
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[
0.6906895041465759,
0.5440144538879395,
0.9431580305099487
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[
0.6906895041465759,
0.9559855461120605,
0.4431580603122711
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[
0.3093104660511017,
0.45598554611206055,
0.05684193968772888
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[
0.3083941340446472,
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[
0.6916058659553528,
0.5481628179550171,
0.2841094136238098
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[
0.6916058659553528,
0.9518371820449829,
0.7841094136238098
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[
0.3083941340446472,
0.4518371820449829,
0.7158905863761902
]
] |
{
"a": 7.827436447143555,
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"c": 8.298998832702637,
"alpha": 90,
"beta": 116.68794250488281,
"gamma": 90
}
| 14
|
IO2
|
general_inorganic
| false
| null | 1.4625
| 0.009558
| -0.696474
| false
|
[
"oxide",
"halide"
] | null |
mp-23216
|
[
"Br",
"Sn"
] |
[
50,
50,
50,
50,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | 20
| 2
|
[
[
0.24800850450992584,
0.07743444293737411,
0.8667015433311462
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[
0.7519915103912354,
0.5774344205856323,
0.6332984566688538
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0.7519915103912354,
0.9225655794143677,
0.13329847157001495
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0.24800850450992584,
0.4225655496120453,
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[
0.1909942626953125,
0.9143167734146118,
0.04861779138445854
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[
0.8090057373046875,
0.4143167734146118,
0.45138221979141235
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0.8090057373046875,
0.08568322658538818,
0.9513822197914124
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[
0.1909942626953125,
0.5856832265853882,
0.5486177802085876
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[
0.06146157905459404,
0.4254389703273773,
0.18542353808879852
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[
0.9385384321212769,
0.9254389405250549,
0.3145764470100403
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0.9385384321212769,
0.5745610594749451,
0.8145764470100403
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[
0.06146157905459404,
0.07456103712320328,
0.6854235529899597
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0.31144657731056213,
0.09808196872472763,
0.42620548605918884
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[
0.6885533928871155,
0.5980819463729858,
0.07379449903964996
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[
0.6885533928871155,
0.9019180536270142,
0.5737944841384888
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[
0.31144657731056213,
0.4019180238246918,
0.9262055158615112
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[
0.4303712546825409,
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0.30556520819664
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[
0.5696287155151367,
0.08514489978551865,
0.19443479180335999
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[
0.5696287155151367,
0.41485509276390076,
0.6944347620010376
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[
0.4303712546825409,
0.9148551225662231,
0.8055652379989624
]
] |
{
"a": 10.590746879577637,
"b": 7.134450912475586,
"c": 10.721864700317383,
"alpha": 90,
"beta": 102.357421875,
"gamma": 90
}
| 14
|
SnBr4
|
general_inorganic
| false
| null | 2.7107
| 0
| -1.117423
| false
|
[
"halide"
] | null |
mp-23217
|
[
"Rh",
"Bi"
] |
[
83,
83,
83,
83,
83,
83,
83,
83,
45,
45,
45,
45
] | 12
| 2
|
[
[
0.1466827094554901,
0.3589574098587036,
0.37243202328681946
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[
0.8533172607421875,
0.8589574098587036,
0.12756797671318054
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[
0.8533172607421875,
0.6410425901412964,
0.6275679469108582
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0.1466827094554901,
0.1410425752401352,
0.8724320530891418
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[
0.34691599011421204,
0.8582966923713684,
0.6711335182189941
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0.6530840396881104,
0.3582967221736908,
0.8288664817810059
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[
0.6530840396881104,
0.1417032778263092,
0.32886648178100586
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[
0.34691599011421204,
0.6417033076286316,
0.17113353312015533
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[
0.2710302472114563,
0.49933290481567383,
0.7855743765830994
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[
0.7289697527885437,
0.9993329048156738,
0.7144256234169006
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[
0.7289697527885437,
0.5006670951843262,
0.21442562341690063
],
[
0.2710302472114563,
0.0006671100272797048,
0.28557437658309937
]
] |
{
"a": 6.948902606964111,
"b": 6.860326766967773,
"c": 7.006392478942871,
"alpha": 90,
"beta": 116.982421875,
"gamma": 90
}
| 14
|
Bi2Rh
|
hard_negative
| false
| null | 0
| 0
| -0.222823
| true
|
[
"metallic"
] | null |
mp-23261
|
[
"O",
"I"
] |
[
53,
53,
53,
53,
53,
53,
53,
53,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 28
| 2
|
[
[
0.3426835834980011,
0.17375606298446655,
0.6261167526245117
],
[
0.1573164314031601,
0.6737560629844666,
0.37388327717781067
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[
0.6573164463043213,
0.8262439370155334,
0.37388327717781067
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[
0.8426835536956787,
0.32624393701553345,
0.6261167526245117
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[
0.2841724157333374,
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0.2158275842666626,
0.12312512844800949,
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[
0.7158275842666626,
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[
0.7841724157333374,
0.8768748641014099,
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[
0.3770826756954193,
0.4667552411556244,
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0.12291731685400009,
0.9667552709579468,
0.24980375170707703
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[
0.6229172945022583,
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0.8770827054977417,
0.03324475139379501,
0.7501962780952454
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[
0.2023145705461502,
0.9889400005340576,
0.6904275417327881
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[
0.297685444355011,
0.4889400005340576,
0.3095724284648895
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[
0.797685444355011,
0.011060000397264957,
0.3095724284648895
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[
0.702314555644989,
0.5110599994659424,
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[
0.8449074029922485,
0.15281465649604797,
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[
0.6550925970077515,
0.6528146862983704,
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[
0.15509259700775146,
0.8471853137016296,
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[
0.34490740299224854,
0.347185343503952,
0.9863396286964417
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[
0.5639875531196594,
0.9619054794311523,
0.8044812679290771
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[
0.9360124468803406,
0.46190547943115234,
0.19551873207092285
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[
0.4360124468803406,
0.03809453174471855,
0.19551873207092285
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[
0.06398756057024002,
0.5380945205688477,
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[
0.6645433306694031,
0.14904655516147614,
0.5089915990829468
],
[
0.8354566693305969,
0.6490465402603149,
0.4910084009170532
],
[
0.3354566693305969,
0.8509534597396851,
0.4910084009170532
],
[
0.16454334557056427,
0.35095342993736267,
0.5089915990829468
]
] |
{
"a": 8.168549537658691,
"b": 5.0292534828186035,
"c": 10.956123352050781,
"alpha": 90,
"beta": 107.31175994873047,
"gamma": 90
}
| 14
|
I2O5
|
general_inorganic
| false
| null | 2.7278
| 0
| -0.756462
| false
|
[
"oxide",
"halide"
] | null |
mp-23262
|
[
"O",
"Bi"
] |
[
83,
83,
83,
83,
83,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20
| 2
|
[
[
0.46033892035484314,
0.5433417558670044,
0.22379069030284882
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[
0.5396611094474792,
0.0433417484164238,
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0.5396611094474792,
0.4566582441329956,
0.77620929479599
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[
0.46033892035484314,
0.9566582441329956,
0.72379070520401
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[
0.9772694706916809,
0.6867247819900513,
0.6330357193946838
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[
0.022730549797415733,
0.18672478199005127,
0.8669642806053162
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[
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0.31327521800994873,
0.36696428060531616
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[
0.9772694706916809,
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[
0.22971774637699127,
0.5317887663841248,
0.4885077476501465
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[
0.7702822685241699,
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[
0.7702822685241699,
0.46821123361587524,
0.5114922523498535
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[
0.22971774637699127,
0.9682112336158752,
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[
0.26422274112701416,
0.5506067276000977,
0.875655472278595
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[
0.7357772588729858,
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0.624344527721405
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[
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[
0.26422274112701416,
0.9493932723999023,
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[
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0.7918742895126343
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[
0.2776670753955841,
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[
0.2776670753955841,
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0.20812572538852692
],
[
0.7223328948020935,
0.7968559861183167,
0.2918742895126343
]
] |
{
"a": 5.871987342834473,
"b": 8.115312576293945,
"c": 7.4473490715026855,
"alpha": 90,
"beta": 112.48046875,
"gamma": 90
}
| 14
|
Bi2O3
|
general_inorganic
| false
| null | 2.1945
| 0
| -1.641727
| false
|
[
"oxide"
] | null |
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