▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaTiO3 | ICSD | 186463 | R3m (160) | ✗ | 5 | 40 | 3 | 2.5683 | 2.945 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScAl2 | ICSD | 186475 | Fd-3m (227) | ✔ | 6 | 34 | 3 | 0.0 | 0.000 | 0.694 | (0;000) | ✗ | 05/01/17 |
MgHOF | ICSD | 186501 | Pnma (62) | ✔ | 16 | 96 | 3 | 4.8158 | 4.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2Fe2Se2O | ICSD | 186502 | I4/mmm (139) | ✔ | 7 | 52 | 1 | 0.0 | 0.004 | 0.459 | (0;000) | ✗ | 27/01/17 |
CaFeAsF | ICSD | 186504 | P4/nmm (129) | ✔ | 8 | 60 | 1 | 0.0 | 0.008 | 0.457 | (0;000) | ✗ | 05/01/17 |
MgSiN2 | ICSD | 186509 | R-3m (166) | ✔ | 4 | 24 | 3 | 4.2341 | 5.092 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiFeSiO4 | ICSD | 186517 | Pc (7) | ✗ | 14 | 78 | 2 | 0.0 | 0.000 | 0.905 | ? | ✗ | 15/02/17 |
FeSiO4 | ICSD | 186518 | P2_1nm (31) | ✗ | 12 | 72 | 2 | 0.0 | 0.025 | 0.586 | (0;000) | ✔ | 06/10/16 |
Li4SiPt3 | ICSD | 186537 | R32 (155) | ✗ | 16 | 92 | 3 | 0.0 | 0.008 | 0.538 | ? | ✗ | 29/03/17 |
TlN | ICSD | 186556 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0197 | 0.024 | 0.000 | (1;000) | ✔ | 06/10/16 |
BaC2 | ICSD | 186576 | R-3m (166) | ✔ | 3 | 18 | 1 | 1.1314 | 1.919 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeBiO3 | ICSD | 186583 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.535 | ? | ✗ | 06/10/16 |
FeSb2 | ICSD | 186639 | I4/mcm (140) | ✔ | 6 | 36 | 3 | 0.0 | 0.009 | 0.620 | (1;111) | ✗ | 27/01/17 |
SnSe | ICSD | 186650 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.4992 | 0.652 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeBiO3 | ICSD | 186677 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.520 | ? | ✗ | 06/10/16 |
InCuS2 | ICSD | 186714 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2824 | 0.282 | 0.000 | (0;000) | ✔ | 07/10/16 |
MnGaFe2 | ICSD | 186721 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.758 | (1;000) | ✗ | 27/01/17 |
MnGaFe2 | ICSD | 186722 | P4/mmm (123) | ✔ | 4 | 44 | 3 | 0.0 | 0.003 | 0.761 | (0;100) | ✗ | 27/01/17 |
CaCO3 | ICSD | 186772 | P-1 (2) | ✔ | 20 | 128 | 1 | 3.6119 | 3.614 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | ICSD | 186773 | P-1 (2) | ✔ | 10 | 64 | 1 | 3.8372 | 3.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
KP(HO2)2 | ICSD | 186817 | C222_1 (20) | ✗ | 16 | 80 | 2 | 6.4968 | 6.643 | 0.000 | (0;000) | ✗ | 15/02/17 |
MnFeCoGe | ICSD | 186831 | F-43m (216) | ✗ | 4 | 44 | 3 | 0.0 | 0.007 | 0.290 | (0;000) | ✔ | 15/02/17 |
CrB4 | ICSD | 186851 | Pnnm (58) | ✔ | 10 | 52 | 3 | 0.0 | 0.006 | 0.081 | (1;000) | ✗ | 05/01/17 |
K2NaVF6 | ICSD | 186883 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.453 | (0;000) | ✗ | 27/01/17 |
NbGePt | ICSD | 186940 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.312 | (1;011) | ✗ | 27/01/17 |
ZnHg3Se3Br2 | ICSD | 186941 | P-3 (147) | ✔ | 18 | 160 | 3 | 0.0 | 0.002 | 0.589 | (0;000) | ✗ | 02/02/17 |
FeBiO3 | ICSD | 186955 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.549 | ? | ✗ | 06/10/16 |
FeBiO3 | ICSD | 186964 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.523 | ? | ✗ | 06/10/16 |
TaN | ICSD | 187023 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.498 | (0;000) | ✗ | 27/01/17 |
Ga3BN4 | ICSD | 187048 | P-43m (215) | ✗ | 8 | 62 | 3 | 2.5318 | 2.532 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaBN2 | ICSD | 187049 | P-4m2 (115) | ✗ | 4 | 26 | 3 | 3.328 | 3.344 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaB3N4 | ICSD | 187050 | P-43m (215) | ✗ | 8 | 42 | 3 | 3.7874 | 3.787 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al3BN4 | ICSD | 187051 | P-43m (215) | ✗ | 8 | 32 | 3 | 3.5768 | 3.577 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlBN2 | ICSD | 187052 | P-4m2 (115) | ✗ | 4 | 16 | 3 | 3.7482 | 3.773 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlB3N4 | ICSD | 187053 | P-43m (215) | ✗ | 8 | 32 | 3 | 4.1581 | 4.158 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlGa3N4 | ICSD | 187054 | P-43m (215) | ✗ | 8 | 62 | 3 | 2.3197 | 2.320 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlGaN2 | ICSD | 187055 | P-4m2 (115) | ✗ | 4 | 26 | 3 | 2.845 | 2.845 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al3GaN4 | ICSD | 187056 | P-43m (215) | ✗ | 8 | 42 | 3 | 3.347 | 3.347 | 0.000 | (0;000) | ✗ | 06/10/16 |
As2PdO6 | ICSD | 187099 | P-31m (162) | ✔ | 9 | 64 | 3 | 0.0 | 0.000 | 0.618 | (0;000) | ✗ | 05/01/17 |
Na2IrO3 | ICSD | 187130 | C2/m (12) | ✔ | 12 | 106 | 2 | 0.0175 | 0.055 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiFeAs | ICSD | 187132 | I4mm (107) | ✗ | 3 | 16 | 3 | 0.2109 | 0.457 | 0.000 | (0;000) | ✔ | 07/10/16 |
LiFeP | ICSD | 187135 | I4mm (107) | ✗ | 3 | 16 | 3 | 0.0 | 1.023 | 0.012 | (0;000) | ✔ | 07/10/16 |
Fe7C3 | ICSD | 187139 | P6_3mc (186) | ✗ | 20 | 136 | 3 | 0.0 | 0.000 | 0.545 | ? | ✗ | 15/02/17 |
Fe4C | ICSD | 187144 | I4/m (87) | ✔ | 5 | 36 | 3 | 0.0 | 0.008 | 0.732 | (0;111) | ✗ | 06/10/16 |
MgAgSb | ICSD | 187149 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.0 | 0.000 | 0.283 | (1;000) | ✔ | 15/02/17 |
MgAgSb | ICSD | 187150 | P4/nmm (129) | ✔ | 6 | 52 | 3 | 0.0 | 0.009 | 0.235 | (1;000) | ✗ | 05/01/17 |
MnGe | ICSD | 187195 | P2_13 (198) | ✗ | 8 | 76 | 3 | 0.0 | 0.000 | 0.637 | ? | ✗ | 15/02/17 |
CaMoO | ICSD | 187218 | P1 (1) | ✗ | 12 | 120 | 1 | 0.0 | 0.008 | 0.783 | (1;000) | ✔ | 05/12/16 |
KBe2BO3F2 | ICSD | 187227 | R-3c (167) | ✔ | 18 | 104 | 1 | 6.2336 | 6.234 | 0.000 | (0;000) | ✗ | 21/03/17 |
BiI3 | ICSD | 187304 | P-31m (162) | ✔ | 8 | 72 | 2 | 1.0725 | 1.073 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiI3 | ICSD | 187305 | R-3 (148) | ✔ | 8 | 52 | 2 | 1.454 | 1.544 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeBiO3 | ICSD | 187330 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.520 | ? | ✗ | 06/10/16 |
ReN2 | ICSD | 187441 | C2/m (12) | ✔ | 6 | 50 | 3 | 0.0 | 0.405 | 0.171 | (0;000) | ✔ | 06/10/16 |
ReN2 | ICSD | 187447 | Cm (8) | ✗ | 6 | 50 | 2 | 0.0 | 0.057 | 0.306 | (1;111) | ✔ | 04/10/16 |
ReN2 | ICSD | 187448 | Pm (6) | ✗ | 6 | 50 | 3 | 0.0 | 0.009 | 0.644 | (1;000) | ✔ | 06/10/16 |
ReN2 | ICSD | 187452 | Cmmm (65) | ✔ | 6 | 50 | 3 | 0.0 | 0.024 | 0.517 | (0;001) | ✗ | 06/10/16 |
Ti2O3 | ICSD | 187466 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.1059 | 0.171 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sb2Te3 | ICSD | 187496 | C2/m (12) | ✔ | 10 | 56 | 3 | 0.0 | 0.028 | 1.000 | (1;111) | ✗ | 02/02/17 |
Bi | ICSD | 187502 | Cmce (64) | ✔ | 8 | 120 | 3 | 0.0 | 0.028 | 0.332 | (0;000) | ✗ | 02/02/17 |
CsFe2Se3 | ICSD | 187535 | Cmcm (63) | ✔ | 12 | 86 | 1 | 0.0 | 0.000 | 0.229 | (0;000) | ✗ | 02/02/17 |
BiI3 | ICSD | 187607 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 0.6786 | 0.679 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiI3 | ICSD | 187608 | P2_1 (4) | ✗ | 8 | 52 | 3 | 0.0 | 0.431 | 0.407 | (0;000) | ✔ | 06/10/16 |
BiI3 | ICSD | 187609 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 0.0 | 0.002 | 0.318 | (0;000) | ✗ | 06/10/16 |
BiI3 | ICSD | 187611 | Pnam (62) | ✔ | 16 | 104 | 3 | 0.0 | 0.026 | 0.642 | (0;000) | ✗ | 06/10/16 |
Y | ICSD | 187638 | C2/m (12) | ✔ | 2 | 22 | 3 | 0.0 | 0.054 | 0.460 | (1;110) | ✗ | 27/01/17 |
HC | ICSD | 187642 | I2_13 (199) | ✗ | 8 | 20 | 3 | 4.8022 | 6.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2MgMoO6 | ICSD | 187662 | I4/m (87) | ✔ | 10 | 80 | 3 | 2.1556 | 2.197 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2MnMoO6 | ICSD | 187668 | P2_1/c (14) | ✔ | 20 | 170 | 3 | 0.0 | 0.000 | 0.979 | (0;101) | ✗ | 02/02/17 |
NiPbO3 | ICSD | 187684 | R3c (161) | ✗ | 10 | 84 | 3 | 0.0 | 0.000 | 0.555 | ? | ✗ | 06/10/16 |
NiPbO3 | ICSD | 187685 | R3c (161) | ✗ | 10 | 84 | 3 | 0.0 | 0.000 | 0.368 | ? | ✗ | 06/10/16 |
NiPbO3 | ICSD | 187686 | R3c (161) | ✗ | 10 | 84 | 3 | 0.0 | 0.000 | 0.338 | ? | ✗ | 06/10/16 |
Ti5Al2C3 | ICSD | 187748 | R3m (160) | ✗ | 10 | 78 | 3 | 0.0 | 0.002 | 0.953 | ? | ✗ | 06/10/16 |
CuBiTeO | ICSD | 187824 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.0 | 0.011 | 0.156 | (1;001) | ✗ | 05/01/17 |
AlCo | ICSD | 187973 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.027 | 0.322 | (0;000) | ✗ | 05/01/17 |
CdTeMoO6 | ICSD | 188038 | P-42_1m (113) | ✗ | 18 | 136 | 2 | 3.1805 | 3.284 | 0.000 | (0;000) | ✗ | 22/03/17 |
BaAl2(SiO4)2 | ICSD | 188056 | P-3 (147) | ✔ | 13 | 72 | 3 | 0.3812 | 0.447 | 0.000 | (0;000) | ✗ | 05/01/17 |
NiP | ICSD | 188064 | Cmc2_1 (36) | ✗ | 12 | 90 | 3 | 0.0 | 0.000 | 0.451 | ? | ✗ | 15/02/17 |
BaSnO3 | ICSD | 188149 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.9479 | 1.373 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiRhO3 | ICSD | 188150 | Pnma (62) | ✔ | 20 | 200 | 3 | 0.4398 | 0.625 | 0.000 | (0;000) | ✗ | 02/02/17 |
YIn | ICSD | 188185 | Pm-3m (221) | ✔ | 2 | 24 | 3 | 0.0 | 0.000 | 0.449 | (0;000) | ✗ | 27/01/17 |
Nb6Fe7 | ICSD | 188281 | R-3m (166) | ✔ | 13 | 134 | 3 | 0.0 | 0.004 | 0.486 | (1;000) | ✗ | 22/03/17 |
KClO3 | ICSD | 188311 | R3m (160) | ✗ | 5 | 34 | 1 | 4.7094 | 4.710 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlCuO2 | ICSD | 188313 | R-3m (166) | ✔ | 4 | 26 | 3 | 1.9048 | 2.661 | 0.000 | (0;000) | ✗ | 05/01/17 |
YCu6ClO8 | ICSD | 188351 | Fm-3m (225) | ✔ | 16 | 132 | 3 | 0.0 | 0.004 | 0.872 | (0;000) | ✗ | 27/01/17 |
Re3N | ICSD | 188352 | P-6m2 (187) | ✗ | 4 | 50 | 3 | 0.0 | 0.000 | 0.675 | (0;100) | ✔ | 06/10/16 |
ZnCd3Se4 | ICSD | 188386 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.425 | 0.425 | 0.000 | (0;000) | ✔ | 06/10/16 |
ZnCdSe2 | ICSD | 188387 | P-4m2 (115) | ✗ | 4 | 36 | 3 | 0.5052 | 0.505 | 0.000 | (0;000) | ✗ | 07/10/16 |
Zn3CdSe4 | ICSD | 188388 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.6307 | 0.631 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeBiO3 | ICSD | 188396 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.570 | ? | ✗ | 06/10/16 |
Sr2TaInO6 | ICSD | 188417 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 4.2964 | 4.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2TaInO6 | ICSD | 188420 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 3.9979 | 3.998 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y2MnCrO6 | ICSD | 188476 | P2_1/c (14) | ✔ | 20 | 174 | 3 | 0.0 | 0.000 | 0.840 | (1;101) | ✗ | 02/02/17 |
LiCuO | ICSD | 188520 | I-4m2 (119) | ✗ | 12 | 80 | 3 | 1.4772 | 1.679 | 0.000 | (0;000) | ✗ | 07/10/16 |
NaCuO | ICSD | 188521 | I-4m2 (119) | ✗ | 12 | 104 | 3 | 1.1158 | 1.205 | 0.000 | (0;000) | ✗ | 07/10/16 |
NaAgO | ICSD | 188524 | I-4m2 (119) | ✗ | 12 | 104 | 3 | 1.2628 | 1.270 | 0.000 | (0;000) | ✗ | 07/10/16 |
Ga2HgSe4 | ICSD | 188545 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.9606 | 0.961 | 0.000 | (0;000) | ✗ | 06/10/16 |
YMnO3 | ICSD | 188567 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.003 | 0.436 | (0;000) | ✗ | 02/02/17 |
BaBClF4 | ICSD | 188654 | Pmn2_1 (31) | ✗ | 14 | 96 | 1 | 6.2092 | 6.211 | 0.000 | (0;000) | ✗ | 21/03/17 |
InP | ICSD | 188692 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.031 | 0.246 | (0;000) | ✗ | 27/01/17 |
ScP | ICSD | 188693 | F-43m (216) | ✗ | 2 | 16 | 3 | 1.5616 | 1.562 | 0.000 | (0;000) | ✗ | 06/10/16 |