mp_id
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38
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-567471
|
[
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| 141
|
HgI2
|
general_inorganic
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|
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mp-567705
|
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| 141
|
TiAl2
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hard_negative
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mp-567814
|
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| 141
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Pu3Zn22
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hard_negative
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mp-567914
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[
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{
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| 141
|
TeI4
|
general_inorganic
| false
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| 0.006925
| -0.418218
| false
|
[
"halide"
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mp-568148
|
[
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[
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{
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| 141
|
PrZn11
|
hard_negative
| false
| null | 0
| 0
| -0.220078
| true
|
[
"metallic"
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mp-569954
|
[
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{
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| 141
|
SrCd11
|
hard_negative
| false
| null | 0
| 0.002984
| -0.09121
| true
|
[
"metallic"
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mp-570140
|
[
"Br",
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[
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79,
79,
79,
79,
79,
79,
35,
35,
35,
35,
35,
35,
35,
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|
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{
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| 141
|
AuBr
|
general_inorganic
| false
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| 0.017815
| -0.385176
| false
|
[
"halide"
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mp-571191
|
[
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|
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LaZn11
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mp-571342
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TiGa2
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mp-583684
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"a": 7.213930130004883,
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"gamma": 90
}
| 141
|
SiO2
|
general_inorganic
| false
| null | 5.6232
| 0.029254
| -3.243577
| false
|
[
"oxide",
"silicate"
] | null |
mp-623108
|
[
"Eu",
"Ir"
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[
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
77,
77,
77,
77
] | 20
| 2
|
[
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{
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}
| 141
|
Eu4Ir
|
hard_negative
| false
| null | 0
| 0
| -0.32107
| true
|
[
"metallic"
] | null |
mp-639705
|
[
"O",
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[
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| 2
|
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{
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}
| 141
|
SiO2
|
general_inorganic
| false
| null | 5.5245
| 0.031036
| -3.241795
| false
|
[
"oxide",
"silicate"
] | null |
mp-640370
|
[
"Zn",
"Ce"
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[
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30,
30,
30,
30,
30,
30,
30,
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30
] | 48
| 2
|
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{
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}
| 141
|
CeZn11
|
hard_negative
| false
| null | 0
| 0
| -0.197829
| true
|
[
"metallic"
] | null |
mp-642659
|
[
"H",
"V"
] |
[
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
1,
1,
1,
1,
1,
1,
1,
1
] | 24
| 2
|
[
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[
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] |
{
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"alpha": 90,
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}
| 141
|
V2H
|
hard_negative
| false
| null | 0
| 0
| -0.170648
| true
|
[
"metallic"
] | null |
mp-672388
|
[
"Pb",
"Th"
] |
[
90,
90,
90,
90,
82,
82,
82,
82
] | 8
| 2
|
[
[
0.5,
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0
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[
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[
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[
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]
] |
{
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"alpha": 90,
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}
| 141
|
ThPb
|
hard_negative
| false
| null | 0
| 0.091052
| -0.376997
| true
|
[
"metallic"
] | null |
mp-684638
|
[
"Al",
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[
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] | 80
| 2
|
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| 141
|
H2O
|
general_inorganic
| false
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[
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mp-698212
|
[
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{
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}
| 141
|
Ce3Zn22
|
hard_negative
| false
| null | 0
| 0
| -0.250417
| true
|
[
"metallic"
] | null |
mp-714904
|
[
"O",
"Fe"
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[
26,
26,
26,
26,
26,
26,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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8,
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] | 24
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{
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}
| 141
|
FeO2
|
hard_negative
| false
| null | 0
| 0.279626
| -1.14295
| true
|
[
"oxide",
"metallic"
] | null |
mp-714960
|
[
"O",
"V"
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[
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23,
23,
23,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 24
| 2
|
[
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{
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}
| 141
|
VO2
|
hard_negative
| false
| null | 0
| 0.203578
| -2.31889
| true
|
[
"oxide",
"metallic"
] | null |
mp-714969
|
[
"O",
"Mo"
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[
42,
42,
42,
42,
42,
42,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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] | 24
| 2
|
[
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] |
{
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}
| 141
|
MoO2
|
hard_negative
| false
| null | 0
| 0.228986
| -1.792569
| true
|
[
"oxide",
"metallic"
] | null |
mp-723629
|
[
"Na",
"I"
] |
[
11,
11,
11,
11,
53,
53,
53,
53
] | 8
| 2
|
[
[
0,
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0.75
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0.5,
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0
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[
0.5,
0,
0.25
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[
0,
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0
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[
0,
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0.25
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[
0.5,
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]
] |
{
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}
| 141
|
NaI
|
general_inorganic
| false
| null | 3.0807
| 0.146991
| -1.303051
| false
|
[
"halide"
] | null |
mp-7284
|
[
"Si",
"U"
] |
[
92,
92,
92,
92,
14,
14,
14,
14,
14,
14,
14,
14
] | 12
| 2
|
[
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| 141
|
USi2
|
hard_negative
| false
| null | 0
| 0.112408
| -0.275697
| true
|
[
"metallic"
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mp-754403
|
[
"O",
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[
40,
40,
40,
40,
8,
8,
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8,
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[
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{
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| 141
|
ZrO2
|
general_inorganic
| false
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| 0.048186
| -3.765432
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|
[
"oxide"
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mp-755071
|
[
"O",
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[
50,
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50,
8,
8,
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| 141
|
SnO2
|
general_inorganic
| false
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| 0.087447
| -2.020035
| false
|
[
"oxide"
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mp-755690
|
[
"O",
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[
41,
41,
41,
41,
8,
8,
8,
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[
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| 141
|
NbO2
|
hard_negative
| false
| null | 0
| 0.080004
| -2.817625
| true
|
[
"oxide",
"metallic"
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mp-7790
|
[
"N",
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[
22,
22,
22,
22,
22,
22,
22,
22,
7,
7,
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{
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| 141
|
Ti2N
|
hard_negative
| false
| null | 0
| 0.020863
| -1.433422
| true
|
[
"metallic"
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mp-7832
|
[
"B",
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[
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5,
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5,
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74,
74,
74,
74,
74,
74,
74,
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[
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| 141
|
BW
|
hard_negative
| false
| null | 0
| 0
| -0.35971
| true
|
[
"metallic"
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mp-8490
|
[
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[
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{
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| 141
|
LiGe
|
hard_negative
| true
| 12
| 0
| 0.033398
| -0.247402
| true
|
[
"li",
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mp-862
|
[
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[
20,
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20,
14,
14,
14,
14,
14,
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| 2
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| 141
|
CaSi2
|
hard_negative
| false
| null | 0
| 0.028904
| -0.397967
| true
|
[
"metallic"
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mp-884
|
[
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[
60,
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14,
14,
14,
14,
14,
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| 2
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| 141
|
NdSi2
|
hard_negative
| false
| null | 0
| 0
| -0.637268
| true
|
[
"metallic"
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mp-936219
|
[
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[
19,
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| 2
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| 141
|
K2O
|
general_inorganic
| false
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| 0.039456
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| false
|
[
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mp-9830
|
[
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[
41,
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| 2
|
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| 141
|
NbP
|
hard_negative
| false
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| true
|
[
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mp-1080859
|
[
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| 142
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mp-11051
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mp-11054
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RbSn
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mp-11055
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| 142
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KGe
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mp-1212538
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{
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| 142
|
Na2Sn
|
hard_negative
| false
| null | 0.0578
| 0.115477
| -0.133948
| false
| null | null |
mp-1214946
|
[
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{
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| 142
|
AgO2
|
hard_negative
| false
| null | 0
| 0.305964
| -0.006272
| true
|
[
"oxide",
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mp-1267
|
[
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{
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| 142
|
NaC
|
general_inorganic
| false
| null | 3.1659
| 0.231464
| 0.231464
| false
| null | null |
mp-1573
|
[
"Pd",
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{
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| 142
|
Sn2Pd
|
hard_negative
| false
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| 0.007037
| -0.327521
| true
|
[
"metallic"
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mp-21525
|
[
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{
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| 142
|
RbPb
|
general_inorganic
| false
| null | 0.5688
| 0
| -0.217142
| false
| null | null |
mp-21526
|
[
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] |
{
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}
| 142
|
KPb
|
general_inorganic
| false
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mp-27687
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| 142
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BeI2
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mp-30792
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| 142
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NaPb
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general_inorganic
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mp-31277
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[
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| 142
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| 142
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| 142
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mp-583213
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| 142
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HgI2
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general_inorganic
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mp-622213
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mp-647579
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{
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}
| 142
|
CoSn3
|
hard_negative
| false
| null | 0
| 0
| -0.049153
| true
|
[
"metallic"
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mp-1187792
|
[
"S",
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[
81,
81,
81,
81,
81,
81,
16,
16,
16
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| 2
|
[
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| 143
|
Tl2S
|
general_inorganic
| false
| null | 0.958
| 0.001531
| -0.503586
| false
|
[
"sulfide"
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mp-1189328
|
[
"Ti",
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[
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22,
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28,
28,
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{
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| 143
|
TiNi
|
hard_negative
| false
| null | 0
| 0.022365
| -0.37349
| true
|
[
"metallic"
] | null |
mp-1228882
|
[
"As",
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[
33,
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33,
33,
33,
33,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45
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| 2
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| 143
|
As7Rh12
|
hard_negative
| false
| null | 0
| 0.060303
| -0.474032
| true
|
[
"metallic"
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mp-557546
|
[
"O",
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{
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| 143
|
Fe2O3
|
hard_negative
| false
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| 0.527797
| -1.179294
| true
|
[
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mp-571558
|
[
"Br",
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[
80,
80,
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35,
35,
35,
35,
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35
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| 2
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[
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{
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| 143
|
HgBr2
|
general_inorganic
| false
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| 0.043486
| -0.785284
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[
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mp-773884
|
[
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[
0.048427000641822815,
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0.12059500068426132,
0.6155449748039246,
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0.44984200596809387,
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0.6344699859619141,
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0.9678289890289307,
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0.7168840169906616,
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0.0926320031285286,
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[
0.7437729835510254,
0.4841429889202118,
0.7406269907951355
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0.16359899938106537,
0.20987999439239502,
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0.5102199912071228,
0.1301259994506836,
0.24459199607372284
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0.17754100263118744,
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0.9994860291481018,
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0.3253520131111145,
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0.3311249911785126,
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0.740369975566864,
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0.5158569812774658,
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0.9609220027923584,
0.16153299808502197,
0.5751500129699707
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0.28474000096321106,
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[
0.6213099956512451,
0.9949300289154053,
0.265500009059906
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[
0,
0,
0.3507330119609833
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0.54168301820755,
0.08575999736785889,
0.5439410209655762
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0.7086399793624878,
0.039765000343322754,
0.5915189981460571
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0.20061099529266357,
0.0390780009329319,
0.5751500129699707
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0.24073199927806854,
0.12110300362110138,
0.8767790198326111
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[
0.8788970112800598,
0.11962900310754776,
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[
0.3660440146923065,
0.000514000013936311,
0.749222993850708
],
[
0,
0,
0.714044988155365
]
] |
{
"a": 14.725808143615723,
"b": 14.725808143615723,
"c": 9.00257396697998,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 143
|
Bi19O30
|
hard_negative
| false
| null | 0
| 0.049856
| -1.567449
| true
|
[
"oxide",
"metallic"
] | null |
mp-776922
|
[
"O",
"Rb"
] |
[
37,
37,
37,
37,
37,
37,
8,
8,
8
] | 9
| 2
|
[
[
0.6603593230247498,
0.000682666664943099,
0.8552160263061523
],
[
0.0014293333515524864,
0.325928658246994,
0.4566099941730499
],
[
0.6740713119506836,
0.6755006909370422,
0.4566099941730499
],
[
0.3403233289718628,
0.33964067697525024,
0.8552160263061523
],
[
0.32449933886528015,
0.9985706806182861,
0.4566099941730499
],
[
0.9993173480033875,
0.6596766710281372,
0.8552160263061523
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[
0.3333333432674408,
0.6666666865348816,
0.6486679911613464
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[
0,
0,
0.6774849891662598
],
[
0.6666666865348816,
0.3333333432674408,
0.6397209763526917
]
] |
{
"a": 7.392798900604248,
"b": 7.392798900604248,
"c": 6.612188816070557,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 143
|
Rb2O
|
general_inorganic
| false
| null | 0.1921
| 0.002575
| -1.130593
| false
|
[
"oxide"
] | null |
mp-776952
|
[
"O",
"Na"
] |
[
11,
11,
11,
11,
11,
11,
8,
8,
8
] | 9
| 2
|
[
[
0.2652229964733124,
0.9220020174980164,
0.07842899858951569
],
[
0.6750689744949341,
0.07294599711894989,
0.5736780166625977
],
[
0.3978770077228546,
0.32493099570274353,
0.5736780166625977
],
[
0.07799799740314484,
0.3432210087776184,
0.07842899858951569
],
[
0.9270539879798889,
0.6021230220794678,
0.5736780166625977
],
[
0.6567789912223816,
0.7347769737243652,
0.07842899858951569
],
[
0,
0,
0.47462698817253113
],
[
0.6666666865348816,
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0.06893300265073776
],
[
0.3333333432674408,
0.6666666865348816,
0.6051170229911804
]
] |
{
"a": 6.193782329559326,
"b": 6.193782329559326,
"c": 3.7087080478668213,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 143
|
Na2O
|
general_inorganic
| false
| null | 1.5089
| 0.079519
| -1.34622
| false
|
[
"oxide"
] | null |
mp-849083
|
[
"S",
"Cr"
] |
[
24,
24,
24,
24,
24,
24,
24,
24,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 20
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.7420560121536255
],
[
0.3333333432674408,
0.6666666865348816,
0.011229000054299831
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[
0,
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0.9954469799995422
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[
0.6666666865348816,
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0.495169997215271
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[
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0.49967899918556213
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0.6666666865348816,
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0.33746233582496643,
0.007604666519910097,
0.3797740042209625
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0.013511333614587784,
0.342891663312912,
0.8778960108757019
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0.3294673264026642,
0.3357316553592682,
0.6205599904060364
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0.9923953413963318,
0.3298576772212982,
0.3797740042209625
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[
0.6571083068847656,
0.6706196665763855,
0.8778960108757019
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0.6642683148384094,
0.993735671043396,
0.6205599904060364
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[
0.00626433314755559,
0.6705326437950134,
0.6205599904060364
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0.6737343072891235,
0.009312666952610016,
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0.6701423525810242,
0.662537693977356,
0.3797740042209625
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0.3293803334236145,
0.9864886403083801,
0.8778960108757019
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[
0.9906873106956482,
0.6644216775894165,
0.12355499714612961
],
[
0.3355783224105835,
0.3262656629085541,
0.12355499714612961
]
] |
{
"a": 5.953768730163574,
"b": 5.953768730163574,
"c": 10.942723274230957,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 143
|
Cr2S3
|
hard_negative
| false
| null | 0
| 0.027706
| -0.965672
| true
|
[
"sulfide",
"metallic"
] | null |
mp-998929
|
[
"O",
"K"
] |
[
19,
19,
19,
19,
19,
19,
8,
8,
8
] | 9
| 2
|
[
[
0.4078390598297119,
0.0003754666540771723,
0.07334303110837936
],
[
0.26094427704811096,
0.2618262469768524,
0.5711991786956787
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[
0.0008819733047857881,
0.7390557527542114,
0.5711991786956787
],
[
0.9996245503425598,
0.40746361017227173,
0.07334303110837936
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[
0.73817378282547,
0.9991180300712585,
0.5711991786956787
],
[
0.5925363898277283,
0.5921609401702881,
0.07334303110837936
],
[
0.3333333432674408,
0.6666666865348816,
0.5428764820098877
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[
0,
0,
0.07168622314929962
],
[
0.6666666865348816,
0.3333333432674408,
0.5589199066162109
]
] |
{
"a": 6.9578728675842285,
"b": 6.9578728675842285,
"c": 4.185845851898193,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 143
|
K2O
|
general_inorganic
| false
| null | 1.8534
| 0.059394
| -1.174484
| false
|
[
"oxide"
] | null |
mp-21688
|
[
"S",
"Fe"
] |
[
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 45
| 2
|
[
[
0.4793653190135956,
0.47245365381240845,
0.17967599630355835
],
[
0.5275463461875916,
0.006911666598170996,
0.5130093097686768
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[
0.9930883049964905,
0.520634651184082,
0.8463426828384399
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[
0.43273234367370605,
0.9629566669464111,
0.1624089926481247
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[
0.03704333305358887,
0.4697756767272949,
0.4957423210144043
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0.5302243232727051,
0.567267656326294,
0.8290756940841675
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[
0.012495333328843117,
0.9621646404266357,
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0.03783533349633217,
0.050330664962530136,
0.4955383241176605
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0.949669361114502,
0.9875046610832214,
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[
0.010129333473742008,
0.541715681552887,
0.1538349986076355
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[
0.45828431844711304,
0.46841368079185486,
0.4871683418750763
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[
0.5315863490104675,
0.9898706674575806,
0.8205016851425171
],
[
0.5273723602294922,
0.0021546666976064444,
0.3343980014324188
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[
0.9978453516960144,
0.5252176523208618,
0.6677313446998596
],
[
0.4747823476791382,
0.4726276695728302,
0.0010646666632965207
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[
0.9520383477210999,
0.00003366666715010069,
0.32496199011802673
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[
0.9999663233757019,
0.9520046710968018,
0.6582953333854675
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[
0.04799533262848854,
0.04796166718006134,
0.9916286468505859
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[
0.9552943110466003,
0.4302636682987213,
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[
0.5697363615036011,
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0.4749693274497986,
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0.16435733437538147,
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0.6698193550109863,
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0.42390233278274536
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0.1658233404159546,
0.8356426954269409,
0.7572356462478638
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[
0.15946432948112488,
0.834485650062561,
0.06603000313043594
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[
0.16551433503627777,
0.32497867941856384,
0.39936333894729614
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[
0.6750213503837585,
0.8405356407165527,
0.7326966524124146
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[
0.6452523469924927,
0.3262576758861542,
0.0888419970870018
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0.6737423539161682,
0.3189946711063385,
0.4221753478050232
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0.6810053586959839,
0.3547476530075073,
0.7555086612701416
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0.6426473259925842,
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0.19601933658123016,
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[
0.1613333374261856,
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0.31722933053970337,
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0.8565713167190552,
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0.8261993527412415,
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0.9213166832923889
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[
0.3138583302497864,
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0.2481900006532669
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[
0.3505053222179413,
0.66436368227005,
0.5815233588218689
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[
0.33563634753227234,
0.6861416697502136,
0.9148566722869873
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[
0.8187953233718872,
0.6473536491394043,
0.25161099433898926
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[
0.3526463210582733,
0.17144165933132172,
0.5849443078041077
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[
0.8285583257675171,
0.1812046617269516,
0.9182776808738708
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[
0.8061043620109558,
0.13971365988254547,
0.22894400358200073
],
[
0.8602863550186157,
0.6663906574249268,
0.5622773170471191
],
[
0.33360934257507324,
0.19389566779136658,
0.8956106901168823
]
] |
{
"a": 6.644821643829346,
"b": 6.644821643829346,
"c": 15.774362564086914,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 144
|
Fe7S8
|
hard_negative
| false
| null | 0
| 0.165682
| -0.609767
| true
|
[
"sulfide",
"metallic"
] | null |
mp-571195
|
[
"Zn",
"Te"
] |
[
30,
30,
30,
52,
52,
52
] | 6
| 2
|
[
[
0.6605880260467529,
0.6393629908561707,
0.6931650042533875
],
[
0.9787750244140625,
0.33941200375556946,
0.35983166098594666
],
[
0.36063700914382935,
0.02122499980032444,
0.026498332619667053
],
[
0.647042989730835,
0.6707329750061035,
0.4435020089149475
],
[
0.3292669951915741,
0.9763100147247314,
0.7768353223800659
],
[
0.02369000017642975,
0.35295701026916504,
0.11016866564750671
]
] |
{
"a": 4.372633934020996,
"b": 4.372633934020996,
"c": 10.704961776733398,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 144
|
ZnTe
|
general_inorganic
| false
| null | 1.069
| 0.003689
| -0.680474
| false
| null | null |
mp-971683
|
[
"C",
"N"
] |
[
6,
6,
6,
6,
6,
6,
6,
6,
6,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7
] | 21
| 2
|
[
[
0.8367210030555725,
0.9718379974365234,
0.32183998823165894
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[
0.30802398920059204,
0.44439101219177246,
0.3329769968986511
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0.8377050161361694,
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0.3450239896774292
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[
0.5556089878082275,
0.8636329770088196,
0.6663103103637695
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0.13636699318885803,
0.691976010799408,
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0.6086230278015137,
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0.13511699438095093,
0.1632789969444275,
0.9885066747665405
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[
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0.025536999106407166,
0.6269639730453491
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0.3934839963912964,
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0.8746299743652344,
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0.9744629859924316,
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[
0.4485439956188202,
0.842028021812439,
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[
0.15797199308872223,
0.6065160036087036,
0.3722286522388458
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[
0.6696370244026184,
0.12536999583244324,
0.33372965455055237
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[
0.1565070003271103,
0.13097000122070312,
0.2936306595802307
],
[
0.6626700162887573,
0.6216980218887329,
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{
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"c": 11.980757713317871,
"alpha": 90,
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"gamma": 120
}
| 146
|
AlAg3
|
hard_negative
| false
| null | 0
| 0
| -0.072475
| true
|
[
"metallic"
] | null |
mp-1247924
|
[
"Al",
"Te"
] |
[
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| 2
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{
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"alpha": 90,
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}
| 146
|
Al2Te3
|
general_inorganic
| false
| null | 0.683
| 0.079664
| -0.479361
| false
| null | null |
mp-1247927
|
[
"Al",
"Se"
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34,
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34,
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] | 30
| 2
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{
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| 146
|
Al2Se3
|
general_inorganic
| false
| null | 0.9578
| 0.080221
| -0.928602
| false
| null | null |
mp-31503
|
[
"Mg",
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] |
{
"a": 14.73349380493164,
"b": 14.73349380493164,
"c": 18.021207809448242,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 146
|
Bi2O3
|
general_inorganic
| false
| null | 1.8235
| 0.033538
| -1.60819
| false
|
[
"oxide"
] | null |
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