reference
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listlengths 0
131
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stringlengths 1
22
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value | bandgap type
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float64 0
17.9
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Materials Project
|
[
42745
] |
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|
KOsN(Cl2O)2
|
MP metalic material
|
I
|
PBE
|
Cmc2_1
| 0.001
|
Materials Project
|
[] |
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|
Mn9CdO10
|
MP metalic material
|
I
|
PBE
|
C2/m
| 0.001
|
Materials Project
|
[
15023,
14168
] |
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}
|
CuTeO3
|
MP metalic material
|
I
|
PBE
|
Pnma
| 0.001
|
Materials Project
|
[] |
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}
|
Li8MnFe7(BO3)8
|
MP metalic material
|
I
|
PBE
|
P1
| 0.001
|
Materials Project
|
[
245254
] |
{
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}
|
Ba3SrIr2O9
|
MP metalic material
|
I
|
PBE
|
C2/c
| 0.001
|
Materials Project
|
[
424433
] |
{
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}
|
Tb6CoBr10
|
MP metalic material
|
I
|
PBE
|
P-1
| 0.0011
|
Materials Project
|
[] |
{
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|
CdPbO3
|
MP metalic material
|
I
|
PBE
|
Ibca
| 0.0011
|
Materials Project
|
[
27186,
27148
] |
{
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|
K2PtO6
|
MP metalic material
|
I
|
PBE
|
R-3
| 0.0012
|
Materials Project
|
[
194844,
419308,
42828
] |
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}
|
Ba3Si4
|
MP metalic material
|
I
|
PBE
|
P4_2/mnm
| 0.0012
|
Materials Project
|
[] |
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|
B3H52C16(NO)12
|
MP metalic material
|
I
|
PBE
|
Cmm2
| 0.0013
|
Materials Project
|
[
409809
] |
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}
|
Gd6CoBr10
|
MP metalic material
|
I
|
PBE
|
P-1
| 0.0013
|
Materials Project
|
[] |
{
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|
Ca2MoN3
|
MP metalic material
|
I
|
PBE
|
C2/c
| 0.0014
|
Materials Project
|
[] |
{
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|
V2O3F
|
MP metalic material
|
I
|
PBE
|
C2/m
| 0.0014
|
Materials Project
|
[] |
{
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|
Zn(N3O8)2
|
MP metalic material
|
I
|
PBE
|
P2_1/c
| 0.0014
|
Materials Project
|
[
411463,
173375,
28328
] |
{
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|
BI3
|
MP metalic material
|
I
|
PBE
|
P6_3/m
| 0.0014
|
Materials Project
|
[] |
{
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|
Cu2SnS3
|
MP metalic material
|
I
|
PBE
|
Imm2
| 0.0014
|
Materials Project
|
[] |
{
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|
Li3Ti2(PO4)3
|
MP metalic material
|
I
|
PBE
|
C2
| 0.0014
|
Materials Project
|
[] |
{
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}
|
Ga2(Hg4Te5)3
|
MP metalic material
|
I
|
PBE
|
Cm
| 0.0015
|
Materials Project
|
[
60059,
20658,
166103,
34448,
20657
] |
{
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|
CuH10SO9
|
MP metalic material
|
I
|
PBE
|
P-1
| 0.0015
|
Materials Project
|
[
609923,
107918,
609930,
23245
] |
{
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}
|
Cd3As2
|
MP metalic material
|
I
|
PBE
|
P4_2/nmc
| 0.0015
|
Materials Project
|
[] |
{
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|
CuPO4
|
MP metalic material
|
I
|
PBE
|
Fdd2
| 0.0016
|
Materials Project
|
[] |
{
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|
LiTi2Ni(PO5)2
|
MP metalic material
|
I
|
PBE
|
P2_1/c
| 0.0016
|
Materials Project
|
[
416176
] |
{
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|
RbPS3
|
MP metalic material
|
I
|
PBE
|
Immm
| 0.0016
|
Materials Project
|
[
47117
] |
{
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}
|
BaMnOF5
|
MP metalic material
|
I
|
PBE
|
P2_1/m
| 0.0017
|
Materials Project
|
[
61336
] |
{
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}
|
Ca3(InAs2)2
|
MP metalic material
|
I
|
PBE
|
Pnnm
| 0.0017
|
Materials Project
|
[
188528
] |
{
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{
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],
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{
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}
],
"xyz": [
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]
}
|
NaCuO
|
MP metalic material
|
I
|
PBE
|
F-43m
| 0.0017
|
Materials Project
|
[
26420,
26421
] |
{
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{
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"properties": {
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"species": [
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},
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"properties": {
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"xyz": [
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|
MnTlI3
|
MP metalic material
|
I
|
PBE
|
Pnma
| 0.0018
|
Materials Project
|
[
185597
] |
{
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|
ZnCu2SnS4
|
MP metalic material
|
I
|
PBE
|
Pmn2_1
| 0.0018
|
Materials Project
|
[] |
{
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|
Li3Fe2SnO6
|
MP metalic material
|
I
|
PBE
|
C2/m
| 0.0018
|
Materials Project
|
[] |
{
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|
Mn2P3O10
|
MP metalic material
|
I
|
PBE
|
C2/c
| 0.0019
|
Materials Project
|
[] |
{
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}
|
VNi3(PO4)4
|
MP metalic material
|
I
|
PBE
|
Pm
| 0.0019
|
Materials Project
|
[] |
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|
P4PtBrO10
|
MP metalic material
|
I
|
PBE
|
P2_1/c
| 0.0019
|
Materials Project
|
[] |
{
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|
Ca2SnN2
|
MP metalic material
|
I
|
PBE
|
Cmce
| 0.002
|
Materials Project
|
[] |
{
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}
|
KRbO
|
MP metalic material
|
I
|
PBE
|
I4/mmm
| 0.002
|
Materials Project
|
[] |
{
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}
|
ZnGaCuSe3
|
MP metalic material
|
I
|
PBE
|
Cm
| 0.002
|
Materials Project
|
[
80573,
72167,
63009
] |
{
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|
BaYb2CuO5
|
MP metalic material
|
I
|
PBE
|
Pnma
| 0.0021
|
Materials Project
|
[] |
{
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|
Yb2HgGe
|
MP metalic material
|
I
|
PBE
|
Fm-3m
| 0.0021
|
Materials Project
|
[
621273,
418634
] |
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|
Ce4(GeS4)3
|
MP metalic material
|
I
|
PBE
|
R3c
| 0.0021
|
Materials Project
|
[
195764
] |
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|
Sr2UCu2S5
|
MP metalic material
|
I
|
PBE
|
C2/m
| 0.0021
|
Materials Project
|
[
86252,
262397,
84033
] |
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}
|
Sr2MnGe2O7
|
MP metalic material
|
I
|
PBE
|
P-42_1m
| 0.0022
|
Materials Project
|
[] |
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|
Si6BiO14
|
MP metalic material
|
I
|
PBE
|
Ibam
| 0.0022
|
Materials Project
|
[
167088
] |
{
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|
Ce2Br5
|
MP metalic material
|
I
|
PBE
|
P2_1/m
| 0.0022
|
Materials Project
|
[] |
{
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|
Li4Cr3Fe3(TeO8)2
|
MP metalic material
|
I
|
PBE
|
Cm
| 0.0022
|
Materials Project
|
[
625
] |
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|
MgMn3(CuO4)2
|
MP metalic material
|
I
|
PBE
|
P4_332
| 0.0023
|
Materials Project
|
[
40379
] |
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}
|
CsV2P5O16
|
MP metalic material
|
I
|
PBE
|
Pc
| 0.0023
|
Materials Project
|
[] |
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}
|
Na2LiFePCO7
|
MP metalic material
|
I
|
PBE
|
P1
| 0.0024
|
Materials Project
|
[] |
{
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}
|
Fe3Co2Sb(PO4)6
|
MP metalic material
|
I
|
PBE
|
R3
| 0.0024
|
Materials Project
|
[] |
{
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|
BaCrF7
|
MP metalic material
|
I
|
PBE
|
P2_1/c
| 0.0024
|
Materials Project
|
[
93873
] |
{
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|
Gd4Ti(SeO)4
|
MP metalic material
|
I
|
PBE
|
C2/m
| 0.0024
|
Materials Project
|
[] |
{
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|
Ga3Te3As
|
MP metalic material
|
I
|
PBE
|
Pmn2_1
| 0.0024
|
Materials Project
|
[] |
{
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|
Al2CoO4
|
MP metalic material
|
I
|
PBE
|
R3m
| 0.0024
|
Materials Project
|
[
29013
] |
{
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|
PuF3
|
MP metalic material
|
I
|
PBE
|
P6_3/mmc
| 0.0025
|
Materials Project
|
[
69329,
79431
] |
{
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|
Tm2Cu2O5
|
MP metalic material
|
I
|
PBE
|
Pna2_1
| 0.0025
|
Materials Project
|
[
4311,
155730
] |
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|
Cd2S3(NO6)2
|
MP metalic material
|
I
|
PBE
|
P2_13
| 0.0025
|
Materials Project
|
[
84289
] |
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|
KTbF5
|
MP metalic material
|
I
|
PBE
|
P-1
| 0.0026
|
Materials Project
|
[
109608
] |
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}
|
UC3NO8
|
MP metalic material
|
I
|
PBE
|
P2_1/c
| 0.0026
|
Materials Project
|
[] |
{
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}
|
Na22In5O15
|
MP metalic material
|
I
|
PBE
|
Cm
| 0.0026
|
Materials Project
|
[] |
{
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}
|
VNi3Sb2(PO4)6
|
MP metalic material
|
I
|
PBE
|
R3
| 0.0027
|
Materials Project
|
[] |
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|
MgCr3(SO4)6
|
MP metalic material
|
I
|
PBE
|
R3
| 0.0027
|
Materials Project
|
[
93116
] |
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|
Zn4As3NO13
|
MP metalic material
|
I
|
PBE
|
I2_13
| 0.0027
|
Materials Project
|
[
107098
] |
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|
Ta6Fe16Si7
|
MP metalic material
|
I
|
PBE
|
Fm-3m
| 0.0027
|
Materials Project
|
[] |
{
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"@module": "pymatgen.core.structure",
"charge": null,
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}
|
MnZn4O5
|
MP metalic material
|
I
|
PBE
|
P1
| 0.0028
|
Materials Project
|
[] |
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}
|
LiNi(PO3)4
|
MP metalic material
|
I
|
PBE
|
C222_1
| 0.0028
|
Materials Project
|
[] |
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|
KFePCO7
|
MP metalic material
|
I
|
PBE
|
P2_1
| 0.0028
|
Materials Project
|
[] |
{
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|
KMg6BO8
|
MP metalic material
|
I
|
PBE
|
P4/mmm
| 0.0029
|
Materials Project
|
[
237752,
250912
] |
{
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|
CaMn3V4O12
|
MP metalic material
|
I
|
PBE
|
Im-3
| 0.0029
|
Materials Project
|
[] |
{
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|
GaGeS4
|
MP metalic material
|
I
|
PBE
|
Cc
| 0.0029
|
Materials Project
|
[
652193,
40825,
652195
] |
{
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|
Yb3Se4
|
MP metalic material
|
I
|
PBE
|
Pnma
| 0.0029
|
Materials Project
|
[
61148
] |
{
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|
Ta2NiSe5
|
MP metalic material
|
I
|
PBE
|
Cmcm
| 0.0029
|
Materials Project
|
[
95826
] |
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|
Sr2AuN
|
MP metalic material
|
I
|
PBE
|
Cmcm
| 0.0029
|
Materials Project
|
[] |
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}
|
Na4Cr2P(CO4)4
|
MP metalic material
|
I
|
PBE
|
Fddd
| 0.0029
|
Materials Project
|
[] |
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|
Li2Ni(PO4)2
|
MP metalic material
|
I
|
PBE
|
P2_1
| 0.0029
|
Materials Project
|
[
25788
] |
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}
|
I3O8
|
MP metalic material
|
I
|
PBE
|
P2_1/c
| 0.003
|
Materials Project
|
[] |
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|
CsRuN2
|
MP metalic material
|
I
|
PBE
|
I4_1/amd
| 0.003
|
Materials Project
|
[] |
{
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}
|
MgTaTi(PO4)3
|
MP metalic material
|
I
|
PBE
|
R3c
| 0.0031
|
Materials Project
|
[
35581
] |
{
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|
La3MnFeS7
|
MP metalic material
|
I
|
PBE
|
P6_3
| 0.0031
|
Materials Project
|
[] |
{
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|
Cs2KPbF6
|
MP metalic material
|
I
|
PBE
|
Fm-3m
| 0.0031
|
Materials Project
|
[] |
{
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|
Na5Mn2P(CO4)4
|
MP metalic material
|
I
|
PBE
|
F222
| 0.0032
|
Materials Project
|
[] |
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|
Li2V2F7
|
MP metalic material
|
I
|
PBE
|
C2/c
| 0.0033
|
Materials Project
|
[
109863
] |
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|
K4H4PtC6S2(NO6)2
|
MP metalic material
|
I
|
PBE
|
P-1
| 0.0034
|
Materials Project
|
[] |
{
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}
|
Cr3Sb(PO4)6
|
MP metalic material
|
I
|
PBE
|
R3
| 0.0034
|
Materials Project
|
[
96685
] |
{
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|
YbAl3(BO3)4
|
MP metalic material
|
I
|
PBE
|
R32
| 0.0034
|
Materials Project
|
[] |
{
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|
Rb2FeI4
|
MP metalic material
|
I
|
PBE
|
P2_1
| 0.0035
|
Materials Project
|
[] |
{
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|
KH28S4N7O16
|
MP metalic material
|
I
|
PBE
|
P1
| 0.0035
|
Materials Project
|
[
106417,
102236,
419194,
157922
] |
{
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|
CeNiSn
|
MP metalic material
|
I
|
PBE
|
Pnma
| 0.0035
|
Materials Project
|
[] |
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|
Li4Co3Ni3(WO8)2
|
MP metalic material
|
I
|
PBE
|
Cm
| 0.0036
|
Materials Project
|
[] |
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|
Li2TiFe3O8
|
MP metalic material
|
I
|
PBE
|
P2_1
| 0.0037
|
Materials Project
|
[] |
{
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|
RbGaO2
|
MP metalic material
|
I
|
PBE
|
Fd-3m
| 0.0037
|
Materials Project
|
[
194858
] |
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|
BaNaEu(SiO3)3
|
MP metalic material
|
I
|
PBE
|
P2_12_12_1
| 0.0037
|
Materials Project
|
[
20319,
617074
] |
{
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|
Bi4Se3
|
MP metalic material
|
I
|
PBE
|
R-3m
| 0.0037
|
Materials Project
|
[] |
{
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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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0
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{
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},
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},
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}
],
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},
{
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},
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}
],
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}
|
TiSiRu2
|
MP metalic material
|
I
|
PBE
|
Fm-3m
| 0.0039
|
Materials Project
|
[] |
{
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0
],
[
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],
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|
CuBiO4
|
MP metalic material
|
I
|
PBE
|
P2_1/c
| 0.0039
|
Materials Project
|
[
638485,
246325
] |
{
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|
TbH3
|
MP metalic material
|
I
|
PBE
|
P-3c1
| 0.0039
|
Materials Project
|
[
88665
] |
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}
|
BeAsO5
|
MP metalic material
|
I
|
PBE
|
Pca2_1
| 0.0039
|
Materials Project
|
[
402643
] |
{
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[
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],
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},
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},
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],
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},
{
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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,
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},
{
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}
|
KAg3Se2
|
MP metalic material
|
I
|
PBE
|
C2/m
| 0.0039
|
Materials Project
|
[] |
{
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],
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],
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],
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},
{
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],
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},
{
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},
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],
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},
{
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"properties": {
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},
"species": [
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],
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},
{
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],
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},
{
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},
{
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{
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],
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{
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}
],
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]
}
|
Te2W3(SeS)2
|
MP metalic material
|
I
|
PBE
|
P3m1
| 0.0039
|
Materials Project
|
[
51498,
51499
] |
{
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},
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],
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},
{
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],
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},
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}
],
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},
{
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],
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"properties": {
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},
"species": [
{
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}
],
"xyz": [
0,
0,
0
]
},
{
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"properties": {
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},
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],
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},
{
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},
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],
"xyz": [
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}
|
Ag2PdO2
|
MP metalic material
|
I
|
PBE
|
Immm
| 0.0039
|
Materials Project
|
[] |
{
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{
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],
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},
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{
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],
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},
{
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},
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],
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},
{
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],
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},
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}
|
MgNi2(PO5)2
|
MP metalic material
|
I
|
PBE
|
Fddd
| 0.0039
|
Materials Project
|
[
74442
] |
{
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]
}
|
TaAgS3
|
MP metalic material
|
I
|
PBE
|
Cmc2_1
| 0.004
|
Materials Project
|
[
44622,
248080,
82362
] |
{
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"properties": {
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{
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{
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{
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{
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]
}
|
Mg2Mo3O8
|
MP metalic material
|
I
|
PBE
|
P6_3mc
| 0.004
|
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