▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
K2ZrF6 | COD | 2310345 | Cmcm (63) | ✔ | 18 | 128 | 1 | 4.9409 | 4.977 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ge3Pt2 | ICSD | 637639 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.0 | 0.017 | 0.770 | (1;000) | ✗ | 02/02/17 |
TaBi4ClO8 | ICSD | 59601 | P4/mmm (123) | ✔ | 14 | 128 | 1 | 0.4995 | 1.233 | 0.000 | (0;000) | ✗ | 02/02/17 |
P3Ir | ICSD | 23713 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.1726 | 0.481 | 0.000 | (0;000) | ✗ | 02/02/17 |
CBr3F | ICSD | 72370 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.4942 | 3.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | COD | 9016600 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.8664 | 3.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
TePb2O5 | COD | 9015570 | C2/c (15) | ✔ | 16 | 128 | 3 | 2.1428 | 2.356 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | ICSD | 186772 | P-1 (2) | ✔ | 20 | 128 | 1 | 3.6119 | 3.614 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | COD | 9016547 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.3434 | 4.687 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | COD | 2106394 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 4.9865 | 5.058 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrZrS3 | ICSD | 23287 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.9675 | 0.968 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrZrS3 | ICSD | 154103 | Pnma (62) | ✔ | 20 | 128 | 2 | 0.3824 | 0.382 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cu6PbO8 | COD | 2102005 | Fm-3m (225) | ✔ | 15 | 128 | 3 | 0.0 | 0.006 | 0.540 | (0;000) | ✗ | 27/01/17 |
Pb2SO5 | COD | 9011421 | C2/m (12) | ✔ | 16 | 128 | 3 | 2.9251 | 3.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PdCl4 | COD | 1532214 | Cmcm (63) | ✔ | 14 | 128 | 1 | 1.6548 | 1.655 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb2SO5 | ICSD | 30627 | C2/m (12) | ✔ | 16 | 128 | 3 | 2.5863 | 2.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y5Al3 | ICSD | 603810 | P6_3/mcm (193) | ✔ | 16 | 128 | 3 | 0.0 | 0.001 | 0.354 | (1;000) | ✗ | 30/01/17 |
ScSiIr | ICSD | 640977 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.046 | 0.298 | (1;000) | ✗ | 27/01/17 |
NiMoP8 | ICSD | 71037 | P-31c (163) | ✔ | 20 | 128 | 3 | 0.0 | 0.002 | 0.080 | (1;000) | ✗ | 02/02/17 |
YSiIr | ICSD | 427253 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.017 | 0.422 | (1;000) | ✗ | 02/02/17 |
Pd(NO3)2 | ICSD | 425998 | P2_1/c (14) | ✔ | 18 | 128 | 2 | 1.5489 | 1.549 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf3Fe2Si3 | ICSD | 632268 | Cmcm (63) | ✔ | 16 | 128 | 3 | 0.0 | 0.006 | 0.706 | (1;110) | ✗ | 02/02/17 |
YGeIr | ICSD | 427251 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.062 | 0.417 | (0;000) | ✗ | 02/02/17 |
Sb3Ir | COD | 2310426 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.0978 | 0.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2PdO6 | COD | 1530535 | Pmna (53) | ✔ | 18 | 128 | 3 | 1.8132 | 1.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
K4GeO4 | ICSD | 37271 | P-1 (2) | ✔ | 18 | 128 | 1 | 2.9874 | 3.055 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCa(CO3)2 | COD | 9013465 | P2_1/m (11) | ✔ | 20 | 128 | 1 | 4.8058 | 4.848 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoO3 | COD | 9014987 | Pnma (62) | ✔ | 16 | 128 | 2 | 2.2396 | 3.008 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlTl2F5 | ICSD | 109365 | Cmcm (63) | ✔ | 16 | 128 | 1 | 3.9681 | 4.029 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZrCr2 | COD | 1525357 | P6_3/mmc (194) | ✔ | 12 | 128 | 3 | 0.0 | 0.001 | 0.731 | (1;000) | ✗ | 27/01/17 |
Cr(InS2)2 | ICSD | 626203 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.000 | 0.698 | (0;000) | ✗ | 02/02/17 |
AlTl2F5 | COD | 1010159 | Cmcm (63) | ✔ | 16 | 128 | 1 | 3.7681 | 3.802 | 0.000 | (0;000) | ✗ | 30/01/17 |
GeCl4 | COD | 2012797 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 4.342 | 4.405 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2MoO4 | COD | 2009101 | P-3m1 (164) | ✔ | 14 | 128 | 3 | 3.034 | 3.116 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgGeO3 | COD | 9000961 | C2/c (15) | ✔ | 20 | 128 | 3 | 2.9465 | 3.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbP(OF3)2 | ICSD | 51535 | P-1 (2) | ✔ | 20 | 128 | 1 | 5.0835 | 5.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na6S2ClO8F | COD | 1011182 | Fm-3m (225) | ✔ | 18 | 128 | 1 | 4.6318 | 4.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3AlO4F | ICSD | 50736 | I4/mcm (140) | ✔ | 18 | 128 | 1 | 4.2152 | 4.582 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na6S2ClO8F | ICSD | 52291 | Fm-3m (225) | ✔ | 18 | 128 | 1 | 4.8534 | 4.856 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCdPt | ICSD | 426610 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.049 | 0.562 | (1;000) | ✗ | 02/02/17 |
Cr2CdS4 | ICSD | 657592 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.012 | 0.195 | (0;000) | ✗ | 02/02/17 |
SrZnSb2 | COD | 7221192 | Pnma (62) | ✔ | 16 | 128 | 1 | 0.0 | 0.045 | 0.030 | (1;000) | ✗ | 02/02/17 |
Na2TiGeO5 | ICSD | 91546 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.3762 | 3.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
YAlO3 | COD | 1533069 | Pnma (62) | ✔ | 20 | 128 | 3 | 5.6486 | 5.665 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cr2CdSe4 | COD | 9012053 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.007 | 0.094 | (0;000) | ✗ | 02/02/17 |
Na4GeO4 | ICSD | 61496 | P-1 (2) | ✔ | 18 | 128 | 1 | 3.0167 | 3.101 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2GeTeO6 | ICSD | 88789 | P-31c (163) | ✔ | 20 | 128 | 1 | 3.1747 | 3.278 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrZrSe3 | ICSD | 84723 | Pnma (62) | ✔ | 20 | 128 | 2 | 0.1594 | 0.178 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3N | ICSD | 165991 | Pnma (62) | ✔ | 16 | 128 | 1 | 0.0 | 0.009 | 0.031 | (1;000) | ✗ | 02/02/17 |
YGeRh | ICSD | 637723 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.007 | 0.470 | (1;000) | ✗ | 02/02/17 |