mp_id
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1120447
|
[
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|
Si
|
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mp-1180008
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| 1
|
O2
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mp-1180064
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O2
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mp-1197903
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C
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mp-1244913
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mp-1244933
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Si
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mp-632401
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mp-1056831
|
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mp-1182029
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}
| 10
|
C
|
hard_negative
| false
| null | 0
| 1.002409
| 1.002409
| true
|
[
"metallic"
] | null |
mp-1179605
|
[
"Sb"
] |
[
51,
51
] | 2
| 1
|
[
[
0.011389000341296196,
0.25,
0.24116599559783936
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[
0.9886109828948975,
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0.7588340044021606
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{
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}
| 11
|
Sb
|
hard_negative
| false
| null | 0
| 0.050482
| 0.050482
| true
|
[
"metallic"
] | null |
mp-2647017
|
[
"C"
] |
[
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 20
| 1
|
[
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}
| 11
|
C
|
general_inorganic
| false
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| 0.177572
| 0.177572
| false
| null | null |
mp-567409
|
[
"Sb"
] |
[
51,
51,
51,
51
] | 4
| 1
|
[
[
0.33992999792099,
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0.6836699843406677
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0.9366379976272583,
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0.23724199831485748
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0.66007000207901,
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{
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| 11
|
Sb
|
hard_negative
| false
| null | 0
| 0.120895
| 0.120895
| true
|
[
"metallic"
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mp-1009490
|
[
"O"
] |
[
8,
8,
8,
8
] | 4
| 1
|
[
[
0.07220447808504105,
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0.17351551353931427
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0.9277955293655396,
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0.8264845013618469
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0.5722044706344604,
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0.17351551353931427
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0.42779552936553955,
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0.8264845013618469
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{
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}
| 12
|
O2
|
general_inorganic
| false
| null | 1.426
| 0.001718
| 0.001718
| false
|
[
"oxide"
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mp-1079297
|
[
"Si"
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[
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14
] | 16
| 1
|
[
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0.12603649497032166
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0.4144223630428314
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0.22710932791233063,
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{
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| 12
|
Si
|
general_inorganic
| false
| null | 0.2735
| 0.082206
| 0.082206
| false
| null | null |
mp-1179990
|
[
"P"
] |
[
15,
15,
15,
15
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| 1
|
[
[
0.9569752812385559,
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0.11993277817964554
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0.04302474111318588,
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0.11993277817964554
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{
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}
| 12
|
P
|
general_inorganic
| false
| null | 3.0938
| 0.876318
| 0.876318
| false
| null | null |
mp-1182425
|
[
"B"
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[
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5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
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5
] | 24
| 1
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[
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0.7999719977378845,
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{
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| 12
|
B
|
hard_negative
| false
| null | 0
| 0.482334
| 0.482334
| true
|
[
"metallic"
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mp-12883
|
[
"P"
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[
15,
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15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | 16
| 1
|
[
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0.35258692502975464,
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{
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}
| 12
|
P
|
general_inorganic
| false
| null | 3.5354
| 0.154571
| 0.154571
| false
| null | null |
mp-12957
|
[
"O"
] |
[
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 16
| 1
|
[
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0.648222029209137,
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{
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}
| 12
|
O2
|
general_inorganic
| false
| null | 1.0933
| 0
| 0
| false
|
[
"oxide"
] | null |
mp-561367
|
[
"F"
] |
[
9,
9,
9,
9,
9,
9,
9,
9
] | 8
| 1
|
[
[
0.49550485610961914,
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0.5991498827934265
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[
0.9146418571472168,
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0.9013967514038086
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0.4146418273448944,
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0.5,
0.4008501172065735
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[
0.5853581428527832,
0.5,
0.0986032634973526
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] |
{
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}
| 12
|
F2
|
general_inorganic
| false
| null | 2.3942
| 0.002994
| 0.002994
| false
|
[
"halide"
] | null |
mp-570459
|
[
"Te"
] |
[
52,
52,
52,
52,
52,
52
] | 6
| 1
|
[
[
0.8094466328620911,
0.5,
0.3388094902038574
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0.6905533671379089,
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0.6611905097961426
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[
0.3094466030597687,
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0.3388094902038574
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[
0.19055339694023132,
0.5,
0.6611905097961426
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[
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0
]
] |
{
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}
| 12
|
Te
|
hard_negative
| false
| null | 0
| 0.072546
| 0.072546
| true
|
[
"metallic"
] | null |
mp-1056059
|
[
"O"
] |
[
8
] | 1
| 1
|
[
[
0,
0,
0
]
] |
{
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}
| 123
|
O2
|
hard_negative
| false
| null | 0
| 1.557555
| 1.557555
| true
|
[
"oxide",
"metallic"
] | null |
mp-1096977
|
[
"H"
] |
[
1
] | 1
| 1
|
[
[
0,
0,
0.5
]
] |
{
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}
| 123
|
H2
|
hard_negative
| false
| null | 0
| 0.400127
| 0.400127
| true
|
[
"metallic"
] | null |
mp-1182332
|
[
"As"
] |
[
33
] | 1
| 1
|
[
[
0.5,
0.5,
0.5
]
] |
{
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"c": 2.3082940578460693,
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}
| 123
|
As
|
hard_negative
| false
| null | 0
| 1.09045
| 1.09045
| true
|
[
"metallic"
] | null |
mp-723897
|
[
"P"
] |
[
15,
15,
15,
15
] | 4
| 1
|
[
[
0.5,
0.5,
0
],
[
0,
0,
0
],
[
0.5,
0,
0.625
],
[
0,
0.5,
0.375
]
] |
{
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"c": 7.400000095367432,
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}
| 129
|
P
|
general_inorganic
| false
| null | 2.1942
| 3.519
| 3.519
| false
| null | null |
mp-1180036
|
[
"O"
] |
[
8,
8,
8,
8
] | 4
| 1
|
[
[
0.678471565246582,
0.3211446702480316,
0.3427056670188904
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[
0.821528434753418,
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0.6572943329811096
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[
0.32152843475341797,
0.6788553595542908,
0.6572943329811096
],
[
0.17847158014774323,
0.6788553595542908,
0.3427056670188904
]
] |
{
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}
| 13
|
O2
|
general_inorganic
| false
| null | 0.4643
| 0.029974
| 0.029974
| false
|
[
"oxide"
] | null |
mp-568348
|
[
"P"
] |
[
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
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| 137
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Si
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general_inorganic
| false
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mp-570778
|
[
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| 138
|
Cl2
|
general_inorganic
| false
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[
"halide"
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mp-1010048
|
[
"Br"
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[
35,
35
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|
[
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| 139
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Br
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hard_negative
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[
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mp-1056579
|
[
"Si"
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[
14,
14
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|
[
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| 139
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Si
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hard_negative
| false
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| true
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[
"metallic"
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mp-10631
|
[
"Sb"
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[
51,
51
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|
[
[
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| 139
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Sb
|
hard_negative
| false
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| true
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[
"metallic"
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mp-1095534
|
[
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| 139
|
C
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general_inorganic
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mp-1181996
|
[
"C"
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[
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[
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| 139
|
C
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hard_negative
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| true
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[
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mp-1205417
|
[
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{
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| 139
|
C
|
general_inorganic
| false
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| 1.168639
| 1.168639
| false
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mp-1238842
|
[
"As"
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[
33,
33,
33,
33,
33,
33
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| 1
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[
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| 139
|
As
|
hard_negative
| false
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| 0.411891
| 0.411891
| true
|
[
"metallic"
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mp-1524991
|
[
"N"
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[
7,
7
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| 1
|
[
[
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0
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{
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| 139
|
N2
|
hard_negative
| false
| null | 0
| 3.098628
| 3.098628
| true
|
[
"metallic"
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mp-1525745
|
[
"O"
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[
8,
8,
8,
8
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| 1
|
[
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{
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| 139
|
O2
|
hard_negative
| false
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| 0.280062
| 0.280062
| true
|
[
"oxide",
"metallic"
] | null |
mp-2739136
|
[
"H"
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[
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1,
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1
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| 1
|
[
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| 139
|
H2
|
general_inorganic
| false
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| 0.001879
| 0.001879
| false
| null | null |
mp-601148
|
[
"I"
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[
53,
53
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| 1
|
[
[
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0
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{
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| 139
|
I
|
hard_negative
| false
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| 0.11938
| 0.11938
| true
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[
"halide",
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mp-999200
|
[
"Si"
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[
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| 1
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[
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{
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| 139
|
Si
|
general_inorganic
| false
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| false
| null | null |
mp-1065250
|
[
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[
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16,
16,
16
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| 1
|
[
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{
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| 14
|
S
|
hard_negative
| false
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| 0.347628
| 0.347628
| false
|
[
"sulfide"
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mp-542461
|
[
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[
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mp-83
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S
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mp-92
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mp-608100
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mp-571520
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| 148
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| 148
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S
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F2
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O2
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| 154
|
S
|
general_inorganic
| false
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| 0.02938
| 0.02938
| false
|
[
"sulfide"
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mp-567313
|
[
"Te"
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[
52,
52,
52
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| 1
|
[
[
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| 154
|
Te
|
general_inorganic
| false
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mp-1202745
|
[
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| 164
|
Si
|
general_inorganic
| false
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| 0.14424
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mp-990424
|
[
"C"
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[
6,
6,
6,
6
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[
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| 164
|
C
|
hard_negative
| false
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mp-104
|
[
"Sb"
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[
51,
51,
51,
51,
51,
51
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[
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| 166
|
Sb
|
hard_negative
| false
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| 0
| 0
| true
|
[
"metallic"
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mp-1094057
|
[
"Si"
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[
14,
14,
14,
14,
14,
14,
14,
14,
14
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[
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| 166
|
Si
|
hard_negative
| false
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| 0.51775
| 0.51775
| true
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[
"metallic"
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mp-11
|
[
"As"
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[
33,
33,
33,
33,
33,
33
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|
[
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{
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| 166
|
As
|
hard_negative
| false
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| 0.011004
| 0.011004
| true
|
[
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mp-1104251
|
[
"B"
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[
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| 166
|
B
|
hard_negative
| false
| null | 0
| 0.214667
| 0.214667
| true
|
[
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mp-1178932
|
[
"Te"
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[
52,
52,
52
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| 1
|
[
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| 166
|
Te
|
hard_negative
| false
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| 0.054095
| true
|
[
"metallic"
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mp-1187769
|
[
"Xe"
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[
54,
54,
54,
54,
54,
54,
54,
54,
54
] | 9
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[
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{
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| 166
|
Xe
|
general_inorganic
| false
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| 0.002141
| 0.002141
| false
| null | null |
mp-130
|
[
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[
15,
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15,
15,
15,
15
] | 6
| 1
|
[
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{
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| 166
|
P
|
hard_negative
| false
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| 0.11263
| true
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[
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mp-160
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B
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mp-169
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C
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C
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mp-569517
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C
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C
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mp-610917
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O2
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C
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mp-972256
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mp-568584
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N2
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mp-1268191
|
[
"Si"
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[
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Si
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[
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mp-1064307
|
[
"Te"
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[
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Te
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hard_negative
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[
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mp-1247808
|
[
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[
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| 18
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Se
|
hard_negative
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[
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mp-1067619
|
[
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[
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Ge
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hard_negative
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{
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}
| 19
|
C
|
general_inorganic
| false
| null | 0.2607
| 1.529663
| 1.529663
| false
| null | null |
End of preview. Expand
in Data Studio
Solid-State Battery (SSB) Screening – SSL Corpus
This dataset contains crystal structures sourced from the Materials Project and optional external structure corpora for self-supervised and weakly supervised representation learning in solid-state battery electrolyte screening.
Format
- Parquet (Arrow) with ZSTD compression
- One row per structure
- Fields:
mp_id,source,elements,atomic_numbers,fractional_coords,lattice,spacegroup_number,reduced_formula,tier, and optional metadata
Tiers
electrolyte_relevantgeneral_inorganichard_negative
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