▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba5Ta4O15 | COD | 2310386 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 0.8298 | 0.831 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba6Ga5N | ICSD | 77731 | R-3c (167) | ✔ | 24 | 260 | 1 | 0.0 | 0.003 | 0.093 | (1;000) | ✗ | 04/08/17 |
CsMnAs | ICSD | 40572 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.833 | (1;001) | ✗ | 05/01/17 |
BaBeF4 | COD | 5910312 | Pnma (62) | ✔ | 24 | 168 | 1 | 7.8184 | 7.862 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba(ClO4)2 | COD | 2240592 | Fddd (70) | ✔ | 22 | 144 | 1 | 5.9888 | 5.989 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaPdCl4 | ICSD | 411837 | Pbcn (60) | ✔ | 24 | 224 | 1 | 1.264 | 1.264 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaZnCl4 | ICSD | 410194 | Pnna (52) | ✔ | 24 | 200 | 1 | 4.6929 | 4.693 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaZnCl4 | ICSD | 411952 | Pbcn (60) | ✔ | 24 | 200 | 1 | 4.6825 | 4.683 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaCrO4 | COD | 5910178 | Pnma (62) | ✔ | 24 | 192 | 1 | 4.1477 | 4.160 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cu2As | COD | 1527863 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.811 | (1;000) | ✗ | 05/01/17 |
BaFe2Se3 | COD | 1504314 | Pnma (62) | ✔ | 24 | 176 | 1 | 0.0 | 0.003 | 0.354 | (1;000) | ✗ | 04/08/17 |
BaFe4O7 | ICSD | 2530 | P6_3/m (176) | ✔ | 24 | 168 | 3 | 0.0 | 0.002 | 0.763 | (0;000) | ✗ | 04/08/17 |
MnInCu2 | COD | 1525451 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.023 | 0.030 | (1;000) | ✗ | 27/01/17 |
MgCd | ICSD | 102022 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.023 | 0.371 | (0;100) | ✗ | 06/10/16 |
BaGe2 | ICSD | 409260 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.4882 | 0.617 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaReH9 | ICSD | 75460 | P6_3/mmc (194) | ✔ | 22 | 68 | 1 | 2.9946 | 2.995 | 0.000 | (0;000) | ✗ | 04/08/17 |
HfSiCuAs | ICSD | 610322 | P4/nmm (129) | ✔ | 8 | 64 | 3 | 0.0 | 0.050 | 0.067 | (0;001) | ✗ | 05/01/17 |
BaMnO4 | COD | 5910329 | Pnma (62) | ✔ | 24 | 196 | 1 | 0.0 | 0.000 | 0.451 | (1;011) | ✗ | 04/08/17 |
BaNb6O17 | COD | 9015043 | Immm (71) | ✔ | 24 | 190 | 2 | 0.0 | 0.012 | 0.670 | (1;111) | ✗ | 04/08/17 |
BaSO4 | COD | 9004122 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.3673 | 6.423 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaSeO4 | COD | 8102886 | Pnma (62) | ✔ | 24 | 160 | 1 | 4.5065 | 4.555 | 0.000 | (0;000) | ✗ | 04/08/17 |
CuAs | ICSD | 610308 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.002 | 0.473 | (1;000) | ✗ | 05/01/17 |
InCu2 | ICSD | 657611 | P6_3/mmc (194) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.652 | (1;000) | ✗ | 27/01/17 |
BaTi2O5 | COD | 2310593 | C2/m (12) | ✔ | 24 | 192 | 3 | 0.0 | 0.006 | 0.420 | (1;000) | ✗ | 04/08/17 |
Ba(PO4)2 | COD | 9015132 | P-1 (2) | ✔ | 22 | 136 | 1 | 0.0 | 0.001 | 0.505 | (1;001) | ✗ | 04/08/17 |
BaV3O8 | ICSD | 82063 | P2_1/m (11) | ✔ | 24 | 194 | 2 | 0.0 | 0.000 | 0.982 | (1;011) | ✗ | 04/08/17 |
Li2CuAs | ICSD | 43938 | P6_3/mmc (194) | ✔ | 8 | 44 | 2 | 0.0 | 0.467 | 0.219 | (0;000) | ✗ | 05/01/17 |
BaP3Pt2 | ICSD | 62520 | P2_1/c (14) | ✔ | 24 | 180 | 3 | 0.0952 | 0.530 | 0.000 | (0;000) | ✗ | 04/08/17 |
MgCuAs | COD | 9008319 | P4/nmm (129) | ✔ | 6 | 52 | 3 | 0.0 | 0.027 | 0.307 | (1;000) | ✗ | 05/01/17 |
BaSi9Rh2 | ICSD | 247984 | C2/c (15) | ✔ | 24 | 160 | 3 | 0.1809 | 0.310 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaSi2 | COD | 1526653 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.6531 | 0.771 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaBPd4 | ICSD | 247264 | Pnma (62) | ✔ | 24 | 340 | 3 | 0.0 | 0.000 | 0.503 | (1;011) | ✗ | 04/08/17 |
BCl2 | COD | 1510986 | Pbca (61) | ✔ | 24 | 136 | 1 | 2.6338 | 2.634 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsBF4 | COD | 1532247 | Pnma (62) | ✔ | 24 | 160 | 1 | 7.8917 | 7.931 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsBO2 | COD | 1511080 | R-3c (167) | ✔ | 24 | 144 | 2 | 4.077 | 4.084 | 0.000 | (0;000) | ✗ | 04/08/17 |
K4Be3O5 | ICSD | 33808 | C2/c (15) | ✔ | 24 | 156 | 1 | 3.3568 | 3.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
BePbF4 | COD | 5910280 | Pnma (62) | ✔ | 24 | 184 | 3 | 4.5631 | 4.701 | 0.000 | (0;000) | ✗ | 04/08/17 |
BePbF4 | ICSD | 24568 | Pnma (62) | ✔ | 24 | 184 | 3 | 4.4935 | 4.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrBeF4 | ICSD | 404396 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 7.6882 | 7.690 | 0.000 | (0;000) | ✗ | 04/08/17 |
InBF4 | COD | 1511123 | Pnma (62) | ✔ | 24 | 176 | 1 | 4.5108 | 4.575 | 0.000 | (0;000) | ✗ | 04/08/17 |
KBF4 | COD | 9012411 | Pnma (62) | ✔ | 24 | 160 | 1 | 8.1512 | 8.151 | 0.000 | (0;000) | ✗ | 04/08/17 |
BNF4 | COD | 9015016 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.005 | 0.482 | (0;000) | ✗ | 04/08/17 |
RbBF4 | COD | 9012413 | Pnma (62) | ✔ | 24 | 160 | 1 | 7.797 | 7.797 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlBF4 | COD | 8103456 | Pnma (62) | ✔ | 24 | 176 | 1 | 5.4599 | 5.598 | 0.000 | (0;000) | ✗ | 04/08/17 |
KBH4 | ICSD | 160986 | Pnma (62) | ✔ | 24 | 64 | 3 | 0.0 | 0.007 | 0.354 | (1;000) | ✗ | 04/08/17 |
LiBH4 | COD | 1504402 | Pnma (62) | ✔ | 24 | 40 | 1 | 7.5535 | 7.596 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaBH4 | ICSD | 166446 | Pnma (62) | ✔ | 24 | 64 | 1 | 6.1844 | 6.186 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ni3(BiS)2 | COD | 1525608 | C2/m (12) | ✔ | 14 | 144 | 3 | 0.0 | 0.030 | 0.821 | (1;111) | ✗ | 04/08/17 |
Sn2Bi2O7 | ICSD | 50311 | Fd-3m (227) | ✔ | 22 | 200 | 3 | 2.2298 | 2.401 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2Zr(CuS2)2 | ICSD | 79536 | C2/m (12) | ✔ | 9 | 68 | 1 | 0.0 | 0.012 | 0.006 | (1;000) | ✗ | 27/01/17 |