▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MoS2 | ICSD | 38401 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8476 | 1.670 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbNiAs2 | ICSD | 38412 | Pnma (62) | ✔ | 16 | 132 | 3 | 0.0 | 0.001 | 0.329 | (0;011) | ✗ | 30/01/17 |
Rb2SiF6 | ICSD | 38547 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 7.2838 | 7.284 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsS | ICSD | 38566 | I4_1/amd (141) | ✔ | 4 | 30 | 1 | 0.0 | 0.000 | 0.529 | (1;111) | ✗ | 02/02/17 |
Hg5(BrO2)2 | ICSD | 38605 | Ibam (72) | ✔ | 22 | 196 | 3 | 0.0481 | 0.117 | 0.000 | (0;000) | ✗ | 07/08/17 |
NaNbO2F | ICSD | 38636 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.741 | (0;110) | ✗ | 02/02/17 |
Ag3Sb | ICSD | 38820 | Pmm2 (25) | ✗ | 4 | 38 | 3 | 0.0 | 0.008 | 0.385 | (1;010) | ✔ | 06/10/16 |
NiSbS | ICSD | 38843 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 1.000 | ? | ✗ | 06/10/16 |
Ca2Ge | ICSD | 39157 | P6_3mc (186) | ✗ | 6 | 48 | 1 | 0.0 | 0.058 | 0.162 | (0;000) | ✔ | 15/02/17 |
Sc2CrC3 | ICSD | 39202 | Pbam (55) | ✔ | 24 | 192 | 3 | 0.0 | 0.001 | 0.685 | (0;000) | ✗ | 04/08/17 |
TiBr3 | ICSD | 39242 | R-3 (148) | ✔ | 8 | 66 | 2 | 0.0 | 0.008 | 0.833 | (1;000) | ✗ | 02/02/17 |
Bi9I2 | ICSD | 39257 | P2_1/m (11) | ✔ | 22 | 118 | 3 | 0.0 | 0.000 | 0.931 | (1;011) | ✗ | 06/10/16 |
BaNb2O6 | ICSD | 39272 | P2_1/c (14) | ✔ | 18 | 144 | 3 | 2.717 | 3.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSb2F12 | ICSD | 39346 | P1 (1) | ✗ | 15 | 104 | 1 | 0.0 | 6.180 | 1.000 | ? | ✗ | 15/02/17 |
Pd(SCl3)2 | ICSD | 39434 | P-1 (2) | ✔ | 9 | 72 | 1 | 1.4965 | 1.500 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(SeCl3)2 | ICSD | 39435 | C2/c (15) | ✔ | 18 | 144 | 1 | 1.6214 | 1.627 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuMoO4 | ICSD | 39439 | P-1 (2) | ✔ | 12 | 98 | 3 | 0.0 | 0.027 | 0.324 | (0;110) | ✗ | 27/01/17 |
Si3NiP4 | ICSD | 39452 | I-42m (121) | ✗ | 8 | 42 | 3 | 0.3269 | 0.532 | 0.000 | (0;000) | ✔ | 07/10/16 |
Na2MnO4 | ICSD | 39504 | P6_3mc (186) | ✗ | 14 | 114 | 1 | 0.0 | 0.000 | 0.654 | ? | ✗ | 29/03/17 |
Mn2ZnAs2 | ICSD | 39512 | P-3m1 (164) | ✔ | 5 | 52 | 3 | 0.0 | 0.014 | 0.505 | (0;001) | ✗ | 05/01/17 |
FeSeBr7 | ICSD | 39528 | Pc (7) | ✗ | 18 | 126 | 1 | 0.0 | 0.000 | 0.345 | (0;100) | ✔ | 21/03/17 |
FeSeCl7 | ICSD | 39529 | P1 (1) | ✗ | 18 | 126 | 1 | 0.0 | 0.004 | 0.516 | ? | ✗ | 22/03/17 |
FeTeCl7 | ICSD | 39530 | P1 (1) | ✗ | 18 | 126 | 1 | 0.0 | 0.006 | 0.249 | (0;100) | ✔ | 22/03/17 |
FeTeBr7 | ICSD | 39531 | P1 (1) | ✗ | 18 | 126 | 2 | 0.0 | 0.004 | 0.497 | ? | ✗ | 21/03/17 |
BiClF8 | ICSD | 39555 | P-1 (2) | ✔ | 20 | 156 | 1 | 2.8713 | 2.871 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrVP | ICSD | 39562 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.006 | 0.332 | (0;000) | ✗ | 27/01/17 |
Ti(AlCl4)2 | ICSD | 39565 | C2/c (15) | ✔ | 22 | 148 | 2 | 0.0 | 0.007 | 0.196 | (0;000) | ✗ | 07/08/17 |
AlCl3 | ICSD | 39566 | C2/m (12) | ✔ | 8 | 48 | 2 | 5.243 | 5.321 | 0.000 | (0;000) | ✗ | 05/01/17 |
Nb4O5 | ICSD | 39595 | P4_2/nmc (137) | ✔ | 18 | 164 | 3 | 0.0 | 0.004 | 0.327 | (0;000) | ✗ | 02/02/17 |
Cs3CdBr5 | ICSD | 39599 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 3.1932 | 3.193 | 0.000 | (0;000) | ✗ | 21/03/17 |
ZrPbO3 | ICSD | 39607 | C2mm (38) | ✗ | 5 | 36 | 3 | 2.0123 | 2.012 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2SbF5 | ICSD | 39630 | Cmcm (63) | ✔ | 16 | 116 | 1 | 4.7652 | 4.832 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaGeSbO5 | ICSD | 39646 | C2/c (15) | ✔ | 16 | 96 | 3 | 2.5211 | 2.521 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZrFeCl6 | ICSD | 39666 | P-31c (163) | ✔ | 16 | 108 | 2 | 0.7473 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2ZrO4 | ICSD | 39707 | I4/mmm (139) | ✔ | 7 | 48 | 3 | 2.3896 | 2.397 | 0.000 | (0;000) | ✗ | 05/01/17 |
VP2O7 | ICSD | 39762 | C2/c (15) | ✔ | 20 | 130 | 3 | 0.0 | 0.000 | 0.285 | (1;011) | ✗ | 02/02/17 |
CsHg5Cl11 | ICSD | 39767 | C2/m (12) | ✔ | 17 | 146 | 3 | 2.8247 | 2.946 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiBr3 | ICSD | 39784 | P-1 (2) | ✔ | 8 | 66 | 2 | 0.0 | 0.007 | 0.829 | (0;011) | ✗ | 06/10/16 |
TlCdCl3 | ICSD | 39807 | Pnma (62) | ✔ | 20 | 184 | 2 | 2.8952 | 2.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlCdBr3 | ICSD | 39808 | Pnma (62) | ✔ | 20 | 184 | 2 | 2.5394 | 2.711 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfFeCl6 | ICSD | 39817 | P-31c (163) | ✔ | 16 | 124 | 2 | 0.7637 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3Sb2Br9 | ICSD | 39823 | P-3m1 (164) | ✔ | 14 | 100 | 2 | 1.5771 | 1.799 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3Sb2Br9 | ICSD | 39824 | P-3m1 (164) | ✔ | 14 | 100 | 2 | 1.4378 | 1.492 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2PdN2(ClO2)2 | ICSD | 39851 | C2/m (12) | ✔ | 11 | 84 | 1 | 0.0 | 0.069 | 0.131 | (0;000) | ✗ | 02/02/17 |
NiH2SeO5 | ICSD | 39886 | C2/c (15) | ✔ | 18 | 96 | 3 | 0.0 | 0.008 | 0.725 | (0;000) | ✗ | 27/01/17 |
CuH2SeO5 | ICSD | 39887 | P-1 (2) | ✔ | 18 | 98 | 3 | 0.0 | 0.008 | 0.094 | (1;100) | ✗ | 27/01/17 |
Hg2AsCl2 | ICSD | 39930 | C2/m (12) | ✔ | 20 | 172 | 3 | 1.4642 | 1.834 | 0.000 | (0;000) | ✗ | 21/03/17 |
CoSbS | ICSD | 40044 | Pmn2_1 (31) | ✗ | 6 | 40 | 3 | 0.0 | 0.367 | 0.147 | (0;000) | ✔ | 06/10/16 |
KPt2S3 | ICSD | 40062 | R-3m (166) | ✔ | 12 | 94 | 2 | 1.3757 | 1.377 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiCuO | ICSD | 40156 | I4/mmm (139) | ✔ | 12 | 80 | 3 | 1.5296 | 1.711 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCuO | ICSD | 40158 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.2693 | 1.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCuO | ICSD | 40161 | Cmcm (63) | ✔ | 6 | 52 | 3 | 1.0614 | 1.065 | 0.000 | (0;000) | ✗ | 27/01/17 |
PPb | ICSD | 40162 | P2_1/c (14) | ✔ | 16 | 152 | 1 | 0.0 | 0.008 | 0.483 | (0;111) | ✗ | 02/02/17 |
Cd(HO)2 | ICSD | 40185 | Cm (8) | ✗ | 10 | 52 | 3 | 0.0243 | 0.237 | 0.000 | (0;000) | ✔ | 15/02/17 |
RbGeI3 | ICSD | 40216 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.349 | 0.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2LiVO4 | ICSD | 40218 | Cmc2_1 (36) | ✗ | 16 | 116 | 1 | 3.9707 | 4.042 | 0.000 | (0;000) | ✗ | 29/03/17 |
Cs2LiVO4 | ICSD | 40219 | Cmc2_1 (36) | ✗ | 16 | 116 | 1 | 3.8248 | 3.850 | 0.000 | (0;000) | ✗ | 22/03/17 |
Li6TeO6 | ICSD | 40247 | R-3 (148) | ✔ | 13 | 60 | 1 | 3.3411 | 3.564 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNa3WO5 | ICSD | 40249 | C2/m (12) | ✔ | 20 | 188 | 1 | 3.6902 | 3.723 | 0.000 | (0;000) | ✗ | 11/04/17 |
Tl5Te3 | ICSD | 40260 | I4/mcm (140) | ✔ | 16 | 166 | 3 | 0.0 | 0.000 | 0.538 | (0;000) | ✗ | 02/02/17 |
Li2SnTeO6 | ICSD | 40265 | Pnn2 (34) | ✗ | 20 | 124 | 3 | 1.5928 | 1.593 | 0.000 | (0;000) | ✗ | 29/03/17 |
Li4MoO5 | ICSD | 40270 | P-1 (2) | ✔ | 20 | 112 | 3 | 0.0 | 0.010 | 0.282 | (0;000) | ✗ | 27/01/17 |
Ba(ClO3)2 | ICSD | 40285 | Fdd2 (43) | ✗ | 18 | 120 | 1 | 5.5421 | 5.639 | 0.000 | (0;000) | ✗ | 21/03/17 |
Pb(ClO3)2 | ICSD | 40286 | Fdd2 (43) | ✗ | 18 | 128 | 3 | 3.7072 | 3.713 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ba(BrO3)2 | ICSD | 40287 | Fdd2 (43) | ✗ | 18 | 120 | 1 | 4.3085 | 4.319 | 0.000 | (0;000) | ✗ | 21/03/17 |
ScNiSb | ICSD | 40296 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.2739 | 1.290 | 0.000 | (0;000) | ✔ | 15/02/17 |
HgPd | ICSD | 40321 | P2_13 (198) | ✗ | 8 | 120 | 3 | 0.0 | 0.335 | 0.420 | ? | ✗ | 15/02/17 |
Fe(SbO3)2 | ICSD | 40344 | P4_2/mnm (136) | ✔ | 18 | 108 | 3 | 0.0 | 0.012 | 0.041 | (0;000) | ✗ | 27/01/17 |
LiIO3 | ICSD | 40358 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.6715 | 3.741 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 40360 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.695 | 3.770 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40361 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7323 | 3.808 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40362 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7988 | 3.879 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40364 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40365 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
KC2IN2 | ICSD | 40370 | C2/m (12) | ✔ | 6 | 34 | 1 | 4.3089 | 4.378 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ca5(GaN2)2 | ICSD | 40372 | Cmce (64) | ✔ | 22 | 192 | 1 | 0.0 | 0.007 | 0.018 | (0;110) | ✗ | 07/08/17 |
K5Au(IO)2 | ICSD | 40376 | Pbam (55) | ✔ | 20 | 164 | 1 | 1.9228 | 1.959 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SiAs2 | ICSD | 40426 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.0103 | 1.409 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnP4 | ICSD | 40428 | P4_12_12 (92) | ✗ | 20 | 128 | 3 | 0.6427 | 0.857 | 0.000 | (0;000) | ✗ | 29/03/17 |
Na2PtSe2 | ICSD | 40429 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.8836 | 1.266 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2PtSe2 | ICSD | 40430 | Immm (71) | ✔ | 5 | 40 | 1 | 1.0192 | 1.560 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2PtSe2 | ICSD | 40431 | Immm (71) | ✔ | 5 | 40 | 1 | 1.045 | 1.548 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Te2Pt | ICSD | 40432 | Immm (71) | ✔ | 5 | 40 | 1 | 0.7598 | 1.226 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mn3As | ICSD | 40437 | Cmcm (63) | ✔ | 8 | 100 | 3 | 0.0 | 0.014 | 0.586 | (0;000) | ✗ | 21/03/17 |
Hf2Si4Ni3 | ICSD | 40442 | Cmce (64) | ✔ | 18 | 140 | 3 | 0.0 | 0.007 | 0.610 | (1;000) | ✗ | 02/02/17 |
Cu2SO4 | ICSD | 40452 | Fddd (70) | ✔ | 14 | 104 | 3 | 1.4434 | 1.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiSbS2 | ICSD | 40457 | R-3 (148) | ✔ | 24 | 120 | 2 | 1.167 | 1.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mn5Ge2 | ICSD | 40462 | Ibam (72) | ✔ | 14 | 166 | 3 | 0.0 | 0.000 | 0.631 | (0;100) | ✗ | 22/03/17 |
K2Sn2O3 | ICSD | 40463 | I2_13 (199) | ✗ | 14 | 128 | 3 | 0.9897 | 0.999 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sr(NiO2)4 | ICSD | 40469 | R-3m (166) | ✔ | 13 | 98 | 2 | 0.0 | 0.001 | 0.809 | (1;111) | ✗ | 27/01/17 |
Ca(NiO2)4 | ICSD | 40470 | R-3m (166) | ✔ | 13 | 98 | 2 | 0.0 | 0.000 | 0.800 | (1;111) | ✗ | 27/01/17 |
ZrTiTe4 | ICSD | 40496 | P2/m (10) | ✔ | 6 | 40 | 2 | 0.0 | 0.018 | 0.262 | (1;010) | ✗ | 27/01/17 |
Tl6SBr4 | ICSD | 40521 | P4/mnc (128) | ✔ | 22 | 224 | 3 | 1.3579 | 1.358 | 0.000 | (0;000) | ✗ | 07/08/17 |
NaAlPO4F | ICSD | 40522 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.8439 | 5.844 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb2SnTe5 | ICSD | 40556 | I4cm (108) | ✗ | 16 | 124 | 1 | 0.5921 | 0.592 | 0.000 | (0;000) | ✗ | 29/03/17 |
Li2Ta3N5 | ICSD | 40568 | C2/m (12) | ✔ | 20 | 140 | 3 | 0.0 | 0.029 | 0.624 | (0;000) | ✗ | 29/03/17 |
CsMnAs | ICSD | 40572 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.833 | (1;001) | ✗ | 05/01/17 |
Ca2SiO4 | ICSD | 40657 | I4/mmm (139) | ✔ | 7 | 48 | 2 | 4.5637 | 5.235 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2Zn3O4 | ICSD | 40754 | C2/c (15) | ✔ | 18 | 156 | 3 | 1.5657 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2Si5Rh3 | ICSD | 40760 | C2/c (15) | ✔ | 20 | 186 | 3 | 0.0 | 0.000 | 0.534 | (0;011) | ✗ | 02/02/17 |