mp_id
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-849081
|
[
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| 146
|
Cr2S3
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hard_negative
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[
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mp-1182789
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| 147
|
FeCl3
|
hard_negative
| false
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| false
|
[
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mp-1209041
|
[
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| 147
|
Si9Ni25
|
hard_negative
| false
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| 0.011552
| -0.438077
| true
|
[
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mp-1216292
|
[
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| 147
|
Y4Co3
|
hard_negative
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[
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mp-1217007
|
[
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| 147
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Tm4Co3
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hard_negative
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mp-1217743
|
[
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| 147
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Tb4Co3
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mp-1219339
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| 147
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Si13Rh20
|
hard_negative
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mp-1222465
|
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| 147
|
Lu4Co3
|
hard_negative
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[
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mp-1224199
|
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| 147
|
Ho4Co3
|
hard_negative
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[
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mp-1225451
|
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| 147
|
Dy4Co3
|
hard_negative
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[
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mp-1225765
|
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| 147
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In3Au7
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mp-672264
|
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| 147
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WN18
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mp-1074405
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| 148
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Mg4Si3
|
hard_negative
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[
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mp-1078114
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| 148
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ReCl6
|
hard_negative
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[
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mp-1078195
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[
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| 148
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SiI3
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general_inorganic
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mp-1080320
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| 148
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CeSe2
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mp-1101826
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| 148
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Ir3S8
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hard_negative
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[
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mp-1102303
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| 148
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NaPu
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mp-1103688
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Nd3Pt4
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mp-1103692
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Ce3Rh2
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mp-1103851
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mp-1103863
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Ho3Pt4
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mp-1103963
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mp-1103985
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| 148
|
Nd3Pt2
|
hard_negative
| false
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| 0.006927
| -0.932935
| true
|
[
"metallic"
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mp-1104019
|
[
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| 148
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Y3Pd4
|
hard_negative
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mp-1104074
|
[
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| 148
|
Sr3Pt2
|
hard_negative
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[
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mp-1104088
|
[
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| 148
|
Tb3Pd4
|
hard_negative
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[
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mp-1104136
|
[
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| 148
|
Er3Pt4
|
hard_negative
| false
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[
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mp-1104158
|
[
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| 148
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Pr3Rh2
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hard_negative
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[
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mp-1104164
|
[
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| 148
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Ba3Au2
|
hard_negative
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[
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mp-1104177
|
[
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| 148
|
Pr3Pt2
|
hard_negative
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mp-1104184
|
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Pr3Pd4
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mp-1104199
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Nd3Pd4
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mp-1104206
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Ho3Pd4
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mp-1104294
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Ce3Pt4
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hard_negative
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mp-1104303
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Dy3Pt4
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mp-1104675
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Tm3Pd4
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mp-1104698
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| 148
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Eu3Pt2
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hard_negative
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mp-1104731
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| 148
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Ce3Pt2
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hard_negative
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mp-1104743
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| 148
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Nd3Rh2
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hard_negative
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mp-1104753
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| 148
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La3Pt2
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mp-1104774
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| 148
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Er3Pd4
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hard_negative
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mp-1104800
|
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| 148
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Sm3Pt4
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hard_negative
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mp-1104814
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| 148
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Ho3Ni2
|
hard_negative
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| 0.018188
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| true
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[
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mp-1104856
|
[
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| 148
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La3Pt4
|
hard_negative
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[
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mp-1104864
|
[
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| 148
|
Tb3Pt4
|
hard_negative
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[
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mp-1104877
|
[
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| 148
|
Lu3Pt4
|
hard_negative
| false
| null | 0
| 0.005473
| -1.402308
| true
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[
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mp-1105001
|
[
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| 148
|
Cd41Ir8
|
hard_negative
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mp-1215377
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| 148
|
Zr4O
|
hard_negative
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[
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mp-1215634
|
[
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| 148
|
Zr2Te3
|
hard_negative
| false
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[
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mp-1217180
|
[
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| 148
|
Ti2Te3
|
hard_negative
| false
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| 0.004201
| -0.847946
| true
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[
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mp-1217357
|
[
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Sr4Zn51
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Eu4Zn51
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mp-1237171
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mp-12612
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| 148
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Ba3Ag2
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mp-12699
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Ca3Au4
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mp-12712
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Zr3Pd4
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mp-12788
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| 148
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Nd3Au4
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mp-1391848
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| 148
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CrF6
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| 148
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TeF6
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mp-1407
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Rh3Se8
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mp-17717
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{
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| 148
|
PtBr3
|
general_inorganic
| false
| null | 0.8929
| 0
| -0.657755
| false
|
[
"halide"
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mp-23186
|
[
"Cl",
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| 2
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[
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{
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}
| 148
|
Sc7Cl12
|
hard_negative
| false
| null | 0
| 0.014478
| -2.00368
| true
|
[
"halide",
"metallic"
] | null |
mp-23204
|
[
"Cl",
"Fe"
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[
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] | 24
| 2
|
[
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[
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] |
{
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"alpha": 90,
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"gamma": 120
}
| 148
|
FeCl3
|
hard_negative
| false
| null | 0
| 0.073412
| -1.091269
| true
|
[
"halide",
"metallic"
] | null |
mp-23218
|
[
"As",
"I"
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[
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53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | 24
| 2
|
[
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[
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] |
{
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"alpha": 90,
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}
| 148
|
AsI3
|
general_inorganic
| false
| null | 2.2375
| 0
| -0.478643
| false
|
[
"halide"
] | null |
mp-23232
|
[
"Fe",
"Br"
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[
26,
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35,
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35,
35,
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35,
35,
35,
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] | 24
| 2
|
[
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[
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] |
{
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"alpha": 90,
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"gamma": 120
}
| 148
|
FeBr3
|
hard_negative
| false
| null | 0
| 0
| -0.763617
| true
|
[
"halide",
"metallic"
] | null |
mp-23269
|
[
"Cl",
"W"
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[
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| 2
|
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[
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0.9855180978775024,
0.67940753698349
],
[
0.4340335726737976,
0.5200933218002319,
0.6681699156761169
],
[
0.41939306259155273,
0.2326330989599228,
0.33483660221099854
],
[
0.14657336473464966,
0.24727359414100647,
0.0015032599912956357
],
[
0.2326330989599228,
0.8132400512695312,
0.6651633977890015
],
[
0.24727359414100647,
0.10070022940635681,
0.9984967112541199
],
[
0.5200933218002319,
0.08605974167585373,
0.33183008432388306
],
[
0.9730571508407593,
0.7494461536407471,
0.7097902894020081
],
[
0.9172205328941345,
0.5569443106651306,
0.04312359169125557
],
[
0.1097223311662674,
0.6936095356941223,
0.3764569163322449
],
[
0.026942869648337364,
0.2505538761615753,
0.29020974040031433
],
[
0.08277945965528488,
0.443055659532547,
0.9568763971328735
],
[
0.8902776837348938,
0.3063904643058777,
0.6235430836677551
],
[
0.7994071245193481,
0.4515919089317322,
0.6539257764816284
],
[
0.9855180978775024,
0.8672595024108887,
0.3205924332141876
],
[
0.21507474780082703,
0.6811485886573792,
0.9872590899467468
],
[
0.20059286057949066,
0.5484080910682678,
0.3460742235183716
],
[
0.014481893740594387,
0.13274048268795013,
0.67940753698349
],
[
0.7849252223968506,
0.31885144114494324,
0.012740889564156532
],
[
0.10070022940635681,
0.8534266352653503,
0.0015032599912956357
],
[
0.08605974167585373,
0.5659664273262024,
0.6681699156761169
],
[
0.8132400512695312,
0.5806069374084473,
0.33483660221099854
],
[
0.8992997407913208,
0.14657336473464966,
0.9984967112541199
],
[
0.9139402508735657,
0.4340335726737976,
0.33183008432388306
],
[
0.18675997853279114,
0.41939306259155273,
0.6651633977890015
],
[
0.6397237777709961,
0.08277945965528488,
0.04312359169125557
],
[
0.5838872194290161,
0.8902776837348938,
0.3764569163322449
],
[
0.7763890027999878,
0.026942869648337364,
0.7097902894020081
],
[
0.6936095356941223,
0.5838872194290161,
0.6235430836677551
],
[
0.7494461536407471,
0.7763890027999878,
0.29020974040031433
],
[
0.5569443106651306,
0.6397237777709961,
0.9568763971328735
],
[
0.46607381105422974,
0.7849252223968506,
0.9872590899467468
],
[
0.652184784412384,
0.20059286057949066,
0.6539257764816284
],
[
0.8817414045333862,
0.014481893740594387,
0.3205924332141876
],
[
0.8672595024108887,
0.8817414045333862,
0.67940753698349
],
[
0.6811485886573792,
0.46607381105422974,
0.012740889564156532
],
[
0.4515919089317322,
0.652184784412384,
0.3460742235183716
],
[
0.767366886138916,
0.18675997853279114,
0.33483660221099854
],
[
0.7527264356613159,
0.8992997407913208,
0.0015032599912956357
],
[
0.47990670800209045,
0.9139402508735657,
0.6681699156761169
],
[
0.5659664273262024,
0.47990670800209045,
0.33183008432388306
],
[
0.5806069374084473,
0.767366886138916,
0.6651633977890015
],
[
0.8534266352653503,
0.7527264356613159,
0.9984967112541199
]
] |
{
"a": 15.15539264678955,
"b": 15.15539264678955,
"c": 8.872920989990234,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 148
|
WCl3
|
hard_negative
| false
| null | 0.0641
| 0.029099
| -0.867405
| false
|
[
"halide"
] | null |
mp-23275
|
[
"Cl",
"Ti"
] |
[
22,
22,
22,
22,
22,
22,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 24
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.00009466666961088777
],
[
0.3333333432674408,
0.6666666865348816,
0.3332386612892151
],
[
0,
0,
0.3334279954433441
],
[
0,
0,
0.6665719747543335
],
[
0.6666666865348816,
0.3333333432674408,
0.6667613387107849
],
[
0.6666666865348816,
0.3333333432674408,
0.9999053478240967
],
[
0.6472086906433105,
0.0001853333378676325,
0.0743713304400444
],
[
0.3529766798019409,
0.35279133915901184,
0.0743713304400444
],
[
0.6668519973754883,
0.6863099932670593,
0.2589620053768158
],
[
0.3136900067329407,
0.980542004108429,
0.2589620053768158
],
[
0.019457999616861343,
0.3331480026245117,
0.2589620053768158
],
[
0.9998146891593933,
0.6470233201980591,
0.0743713304400444
],
[
0.31387534737586975,
0.3335186541080475,
0.4077046811580658
],
[
0.019643332809209824,
0.6861246824264526,
0.4077046811580658
],
[
0.3335186541080475,
0.019643332809209824,
0.5922953486442566
],
[
0.9803566932678223,
0.31387534737586975,
0.5922953486442566
],
[
0.6861246824264526,
0.6664813160896301,
0.5922953486442566
],
[
0.6664813160896301,
0.9803566932678223,
0.4077046811580658
],
[
0.980542004108429,
0.6668519973754883,
0.7410380244255066
],
[
0.6863099932670593,
0.019457999616861343,
0.7410380244255066
],
[
0.0001853333378676325,
0.3529766798019409,
0.925628662109375
],
[
0.6470233201980591,
0.6472086906433105,
0.925628662109375
],
[
0.35279133915901184,
0.9998146891593933,
0.925628662109375
],
[
0.3331480026245117,
0.3136900067329407,
0.7410380244255066
]
] |
{
"a": 6.113818168640137,
"b": 6.113818168640137,
"c": 18.910293579101562,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 148
|
TiCl3
|
hard_negative
| false
| null | 0
| 0.027819
| -1.779363
| true
|
[
"halide",
"metallic"
] | null |
mp-23281
|
[
"Sb",
"I"
] |
[
51,
51,
51,
51,
51,
51,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | 24
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.16569267213344574
],
[
0,
0,
0.16764065623283386
],
[
0.3333333432674408,
0.6666666865348816,
0.49902600049972534
],
[
0.6666666865348816,
0.3333333432674408,
0.5009739995002747
],
[
0,
0,
0.8323593139648438
],
[
0.3333333432674408,
0.6666666865348816,
0.8343073129653931
],
[
0.9899875521659851,
0.6703065633773804,
0.24952560663223267
],
[
0.6803190112113953,
0.010012459941208363,
0.24952560663223267
],
[
0.32969343662261963,
0.31968095898628235,
0.24952560663223267
],
[
0.6766791343688965,
0.663026750087738,
0.08380772173404694
],
[
0.9863476157188416,
0.3233208656311035,
0.08380772173404694
],
[
0.33697324991226196,
0.013652363792061806,
0.08380772173404694
],
[
0.6566541790962219,
0.003639903385192156,
0.5828589200973511
],
[
0.34698569774627686,
0.3433457911014557,
0.5828589200973511
],
[
0.9963601231575012,
0.6530143022537231,
0.5828589200973511
],
[
0.3433457911014557,
0.9963601231575012,
0.41714105010032654
],
[
0.6530143022537231,
0.6566541790962219,
0.41714105010032654
],
[
0.003639903385192156,
0.34698569774627686,
0.41714105010032654
],
[
0.3233208656311035,
0.33697324991226196,
0.9161922931671143
],
[
0.013652363792061806,
0.6766791343688965,
0.9161922931671143
],
[
0.663026750087738,
0.9863476157188416,
0.9161922931671143
],
[
0.010012459941208363,
0.32969343662261963,
0.7504743933677673
],
[
0.31968095898628235,
0.9899875521659851,
0.7504743933677673
],
[
0.6703065633773804,
0.6803190112113953,
0.7504743933677673
]
] |
{
"a": 7.550224781036377,
"b": 7.550224781036377,
"c": 21.388795852661133,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 148
|
SbI3
|
general_inorganic
| false
| null | 2.1446
| 0
| -0.643452
| false
|
[
"halide"
] | null |
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