▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Si(NiO2)2 | COD | 9005829 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 0.0 | 0.006 | 0.582 | (0;000) | ✗ | 27/01/17 |
Ba3(GeN)2 | COD | 1005031 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.0 | 0.017 | 0.965 | (0;010) | ✗ | 02/02/17 |
BaCaSi | ICSD | 52682 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0365 | 0.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2GeO4 | ICSD | 182051 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 1.1021 | 1.102 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2SiO4 | ICSD | 182052 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.9223 | 0.925 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrPIr | ICSD | 155712 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.533 | ? | ✗ | 06/10/16 |
HfFeSi | ICSD | 632263 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.007 | 0.272 | (1;000) | ✗ | 27/01/17 |
SnPd | ICSD | 105683 | Pmcn (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.007 | 0.382 | (0;000) | ✗ | 06/10/16 |
SnPd | ICSD | 109415 | Pmnb (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.018 | 0.403 | (0;000) | ✗ | 06/10/16 |
SrCaGe | COD | 1528698 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.414 | 0.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbBr5 | COD | 8102968 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.1832 | 0.196 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCrO4 | COD | 1010939 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 2.8326 | 2.833 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbAuCl4 | COD | 8103425 | C2/c (15) | ✔ | 12 | 96 | 1 | 2.0009 | 2.007 | 0.000 | (0;000) | ✗ | 30/01/17 |
CaF2 | ICSD | 656449 | Pnma (62) | ✔ | 12 | 96 | 1 | 8.4981 | 8.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
HPb2IO2 | ICSD | 192170 | C2/m (12) | ✔ | 12 | 96 | 3 | 1.0933 | 1.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAuCl4 | ICSD | 423233 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.8939 | 1.944 | 0.000 | (0;000) | ✗ | 30/01/17 |
YCo5 | COD | 1528221 | P6/mmm (191) | ✔ | 6 | 96 | 3 | 0.0 | 0.005 | 0.817 | (0;000) | ✗ | 27/01/17 |
Tl2CO3 | COD | 2017545 | C2/m (12) | ✔ | 12 | 96 | 2 | 1.4491 | 2.153 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaGe2O5 | COD | 8103645 | P-1 (2) | ✔ | 16 | 96 | 3 | 2.9045 | 2.938 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbNO | COD | 1525453 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.5582 | 1.705 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3CaP2HO8 | ICSD | 35344 | C2/m (12) | ✔ | 15 | 96 | 1 | 5.1444 | 5.144 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiNi2 | COD | 9009210 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.030 | 0.453 | (0;000) | ✗ | 27/01/17 |
CaMoO4 | COD | 9009638 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.4169 | 3.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe3H4(OF4)2 | ICSD | 37140 | C2/m (12) | ✔ | 17 | 96 | 3 | 0.0 | 0.055 | 0.380 | (0;111) | ✗ | 27/01/17 |
Ca2Ge | ICSD | 44854 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3479 | 0.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnNbSi | ICSD | 24185 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.742 | ? | ✗ | 06/10/16 |
CaSi2O5 | COD | 9002042 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.4246 | 5.508 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(ClO2)2 | COD | 2207380 | Ccce (68) | ✔ | 14 | 96 | 1 | 2.3827 | 2.464 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaMnSi | ICSD | 643653 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.775 | ? | ✗ | 06/10/16 |
V3GeN | ICSD | 637164 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.007 | 0.518 | (0;000) | ✗ | 27/01/17 |
SiCl2O | COD | 7028093 | P-1 (2) | ✔ | 16 | 96 | 1 | 5.8349 | 5.921 | 0.000 | (0;000) | ✗ | 02/02/17 |
V3AsC | ICSD | 609887 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.713 | (1;110) | ✗ | 27/01/17 |
PtI2 | ICSD | 60760 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 1.0407 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaNO | ICSD | 192272 | C2/m (12) | ✔ | 12 | 96 | 3 | 0.0 | 0.035 | 0.457 | (0;110) | ✗ | 27/01/17 |
HfO2 | ICSD | 83863 | Pnma (62) | ✔ | 12 | 96 | 3 | 3.3241 | 3.324 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiO2 | ICSD | 75179 | Pnma (62) | ✔ | 12 | 96 | 3 | 2.5159 | 2.569 | 0.000 | (0;000) | ✗ | 27/01/17 |
KH4F5 | COD | 1532621 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 5.6134 | 5.613 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe3S4 | COD | 9000123 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 0.0 | 0.024 | 0.470 | (0;000) | ✗ | 02/02/17 |
RbH2OF | ICSD | 415010 | Pnma (62) | ✔ | 20 | 96 | 1 | 5.4701 | 5.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
YSeF | ICSD | 2635 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.002 | 0.018 | (1;000) | ✗ | 02/02/17 |
Sr2Ge | COD | 1520914 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3586 | 0.359 | 0.000 | (0;000) | ✗ | 02/02/17 |
YSF | COD | 1521891 | P6_3/mmc (194) | ✔ | 12 | 96 | 3 | 2.5558 | 3.299 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Ge2Pb2O7 | ICSD | 30247 | P-3 (147) | ✔ | 13 | 96 | 1 | 3.1033 | 3.303 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrI2 | ICSD | 203137 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.5183 | 3.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrSiOs | ICSD | 647807 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.055 | 0.317 | (1;000) | ✗ | 27/01/17 |
TaNO | COD | 1525454 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.9538 | 2.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrMnP | ICSD | 76095 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.007 | 0.554 | (1;000) | ✗ | 27/01/17 |
TaNO | COD | 1528855 | C2/m (12) | ✔ | 12 | 96 | 3 | 2.3632 | 2.515 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlPbI3 | COD | 7221381 | Cmcm (63) | ✔ | 10 | 96 | 3 | 1.3367 | 1.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCaGe | ICSD | 52681 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.1551 | 0.155 | 0.000 | (0;000) | ✗ | 02/02/17 |