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CMR
Stoichiometry:
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Number of chemical species:
-
1
2
3
4
5
6
Found 2398 rows out of 2398, showing rows 1-25
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Derivative discontinuity GLLB-SC. [eV]
G0W0 gap at Gamma [eV]
GLLBSC gap at Gamma [eV]
GW gap at Gamma [eV]
GW0 gap at Gamma [eV]
HSE06 gap at Gamma [eV]
ID of materials in ICSD
LDA gap at Gamma [eV]
Number of atoms
Number of species
Reduced formula
Stoichiometry
Unique ID
age
Formula
Energy [eV]
pbc
Unit cell volume [Å
3
]
charge
Total magnetic moment [μ
B
]
Direct bandgap GLLB-SC. [eV]
Indirect bandgap GLLB-SC. [eV]
ID of materials in Materials project
1
Co
4
As
8
-69.136
188.457
-0.000
0.311
0.135
2715
2
Sr
4
Mg
4
Si
4
-35.803
306.727
0.000
0.125
0.125
15642
3
Ta
2
Ag
2
S
6
-51.598
189.633
-0.000
0.449
0.136
5821
4
V
4
As
2
O
13
-132.971
222.802
2.034
0.142
0.107
32447
5
YSbNi
-17.973
64.422
0.000
1.266
0.218
11520
6
Cs
2
Mn
2
Br
6
-40.629
352.816
0.000
0.261
0.205
23048
7
PtYSb
-17.560
72.723
-0.000
0.152
0.152
4964
8
Cs
2
K
4
Fe
2
O
5
-61.629
290.590
0.000
0.199
0.184
541234
9
AgSbLi
2
-11.613
73.882
0.000
0.177
0.177
16238
10
Cd
8
Sb
8
-36.494
486.499
-0.000
0.454
0.197
1321
11
Sb
2
-8.101
63.560
-0.000
0.461
0.205
104
12
ZnGeLi
2
-9.762
58.833
-0.000
0.411
0.247
12411
13
Cs
3
In
9
-23.833
451.416
0.000
0.419
0.239
542339
14
Cu
2
Se
4
O
10
-77.862
249.469
0.000
0.289
0.218
3199
15
Rh
4
As
8
-66.351
215.494
0.000
0.417
0.328
15954
16
Pt
8
Sr
2
As
12
-112.416
447.826
0.000
0.434
0.288
14500
17
HfPdSn
-15.793
64.421
0.000
1.294
0.321
11869
18
Au
2
Ca
2
P
2
-23.836
127.948
-0.000
0.303
0.303
10677
19
La
2
P
10
-64.963
252.274
-0.000
0.990
0.290
1864
20
C
4
-35.283
41.137
-0.000
0.402
0.402
48
21
Re
4
Te
4
S
4
-74.934
264.790
0.000
0.797
0.434
5222
22
Fe
4
Si
4
-58.044
88.133
-0.001
0.409
0.371
871
23
Pt
4
Ge
4
Se
4
-57.339
228.452
0.000
1.062
0.550
20817
24
Rh
4
P
8
-73.445
184.380
-0.000
0.868
0.463
15953
25
La
6
Mn
2
Ga
2
S
14
-139.258
554.338
-0.000
0.582
0.550
504891
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