▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SrMoO3 | ICSD | 174206 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
SrMoO3 | ICSD | 174207 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
MnAlPd2 | ICSD | 57981 | Fm-3m (225) | ✔ | 4 | 54 | 3 | 0.0 | 0.000 | 0.572 | (0;000) | ✗ | 05/01/17 |
Sr2MoO4 | ICSD | 152123 | I4/mmm (139) | ✔ | 7 | 58 | 3 | 0.0 | 0.050 | 0.763 | (0;000) | ✗ | 27/01/17 |
SrMoO4 | ICSD | 248458 | I4_1/a (88) | ✔ | 12 | 96 | 3 | 0.0 | 0.008 | 0.161 | (1;111) | ✗ | 27/01/17 |
Sr5Bi3 | ICSD | 41838 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 06/10/16 |
LiBeSb | ICSD | 616318 | P6_3mc (186) | ✗ | 6 | 24 | 1 | 0.4792 | 0.920 | 0.000 | (0;000) | ✔ | 06/10/16 |
MoPO5 | ICSD | 36095 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.503 | (1;001) | ✗ | 27/01/17 |
VMoO5 | ICSD | 27315 | P4/n (85) | ✔ | 14 | 114 | 3 | 0.0 | 0.000 | 0.454 | (1;001) | ✗ | 27/01/17 |
MnAlPt2 | ICSD | 57985 | Fm-3m (225) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.570 | (0;000) | ✗ | 05/01/17 |
Sr2TiMoO6 | ICSD | 189335 | P-1 (2) | ✔ | 10 | 82 | 3 | 0.0 | 0.048 | 0.745 | (0;000) | ✗ | 27/01/17 |
Sr2ZnMoO6 | ICSD | 28602 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 1.3459 | 1.555 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnAlPt | ICSD | 57984 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.002 | 0.466 | (0;000) | ✗ | 05/01/17 |
BeSO4 | ICSD | 16832 | I-4 (82) | ✗ | 6 | 34 | 3 | 6.9194 | 7.081 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnAlRh2 | ICSD | 57986 | Fm-3m (225) | ✔ | 4 | 52 | 3 | 0.0 | 0.003 | 0.220 | (0;000) | ✗ | 05/01/17 |
AlTl(MoO4)2 | ICSD | 250339 | P-3m1 (164) | ✔ | 12 | 92 | 2 | 3.8281 | 3.985 | 0.000 | (0;000) | ✗ | 05/01/17 |
InP | ICSD | 165466 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3939 | 0.394 | 0.000 | (0;000) | ✔ | 06/10/16 |
MoPt | ICSD | 644160 | Pmma (51) | ✔ | 4 | 48 | 3 | 0.0 | 0.065 | 0.516 | (0;101) | ✗ | 27/01/17 |
Bi4O7 | ICSD | 51778 | P-1 (2) | ✔ | 22 | 124 | 3 | 1.173 | 1.280 | 0.000 | (0;000) | ✗ | 06/10/16 |
MoS2 | ICSD | 644259 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8813 | 1.652 | 0.000 | (0;000) | ✗ | 27/01/17 |
BeSO4 | ICSD | 44801 | I-4 (82) | ✗ | 6 | 34 | 3 | 6.347 | 6.584 | 0.000 | (0;000) | ✗ | 06/10/16 |
MoSe2 | ICSD | 49800 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8058 | 1.388 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoSe2 | ICSD | 644346 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8472 | 1.396 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlMo3 | ICSD | 57999 | Pm-3n (223) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.955 | (1;000) | ✗ | 05/01/17 |
RbBe2F5 | ICSD | 28541 | P1 (1) | ✗ | 8 | 52 | 2 | 6.8553 | 6.858 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zn6Mo | ICSD | 260686 | Fm-3m (225) | ✔ | 7 | 86 | 3 | 0.0 | 0.000 | 0.535 | (1;000) | ✗ | 27/01/17 |
Zn7Mo | ICSD | 130003 | Fm-3m (225) | ✔ | 8 | 98 | 3 | 0.0 | 0.056 | 0.627 | (1;000) | ✗ | 27/01/17 |
NaNbN2 | ICSD | 657407 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.0313 | 1.255 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaTaN2 | ICSD | 67347 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.3216 | 1.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
N2O5 | ICSD | 30638 | P6_3/mmc (194) | ✔ | 14 | 80 | 1 | 0.6197 | 0.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAlSe2 | ICSD | 44704 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 2.2881 | 2.395 | 0.000 | (0;000) | ✗ | 05/01/17 |
N2O5 | ICSD | 30639 | P6_3/mmc (194) | ✔ | 14 | 80 | 1 | 0.0 | 0.003 | 0.404 | (1;000) | ✗ | 27/01/17 |
Bi4Se3 | ICSD | 20319 | R-3m (166) | ✔ | 7 | 38 | 2 | 0.0 | 0.081 | 0.168 | (0;111) | ✗ | 06/10/16 |
Zr2SeN2 | ICSD | 424266 | P6_3/mmc (194) | ✔ | 10 | 48 | 3 | 0.0 | 1.360 | 0.034 | (0;000) | ✗ | 27/01/17 |
BiTeCl | ICSD | 79362 | P6_3mc (186) | ✗ | 6 | 36 | 2 | 0.264 | 0.280 | 0.000 | (0;000) | ✔ | 06/10/16 |
SrN2 | ICSD | 423722 | I4/mmm (139) | ✔ | 3 | 20 | 1 | 0.0 | 0.005 | 0.580 | (0;000) | ✗ | 27/01/17 |
SrTiN2 | ICSD | 85770 | P4/nmm (129) | ✔ | 8 | 64 | 2 | 0.7908 | 0.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrZrN2 | ICSD | 82537 | R-3m (166) | ✔ | 4 | 24 | 2 | 0.0 | 0.609 | 0.011 | (0;000) | ✗ | 27/01/17 |
Nb3Al | ICSD | 608653 | Pm-3n (223) | ✔ | 8 | 84 | 3 | 0.0 | 0.012 | 0.550 | (0;000) | ✗ | 05/01/17 |
Na2Pd3O4 | ICSD | 6157 | Immm (71) | ✔ | 9 | 96 | 3 | 0.3622 | 0.366 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbAlNi2 | ICSD | 58016 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.014 | 0.246 | (1;000) | ✗ | 05/01/17 |
WN2 | ICSD | 30364 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.002 | 0.186 | (1;000) | ✗ | 27/01/17 |
CrBiO3 | ICSD | 246425 | R3c (161) | ✗ | 10 | 74 | 3 | 0.0 | 0.000 | 0.595 | ? | ✗ | 06/10/16 |
NaN3 | ICSD | 29383 | C2/m (12) | ✔ | 4 | 24 | 1 | 0.0 | 0.008 | 0.483 | (0;110) | ✗ | 27/01/17 |
RbN3 | ICSD | 34273 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.3028 | 4.303 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbAlO4 | ICSD | 24078 | C2/m (12) | ✔ | 12 | 80 | 3 | 3.5921 | 3.832 | 0.000 | (0;000) | ✗ | 05/01/17 |
TlN3 | ICSD | 34271 | I4/mcm (140) | ✔ | 8 | 56 | 1 | 1.3825 | 1.933 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgBr2 | ICSD | 36158 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 2.1612 | 2.218 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sn3N4 | ICSD | 89525 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.5158 | 0.516 | 0.000 | (0;000) | ✗ | 27/01/17 |
W3N4 | ICSD | 30370 | Pm-3m (221) | ✔ | 7 | 62 | 3 | 0.0 | 0.011 | 0.745 | (1;111) | ✗ | 27/01/17 |
Na2PtO2 | ICSD | 25018 | Immm (71) | ✔ | 5 | 40 | 1 | 1.5347 | 1.903 | 0.000 | (0;000) | ✗ | 27/01/17 |
P3N5 | ICSD | 56876 | C2/c (15) | ✔ | 16 | 80 | 3 | 3.7067 | 4.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
InP | ICSD | 180911 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5486 | 0.549 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2Zn2O3 | ICSD | 25617 | P2_1/c (14) | ✔ | 14 | 120 | 3 | 1.1217 | 1.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi4Te3 | ICSD | 30526 | R-3m (166) | ✔ | 7 | 78 | 0 | 0.0 | 0.012 | 0.112 | (0;111) | ✗ | 06/10/16 |
Na2SO4 | ICSD | 27955 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.0 | 0.000 | 0.521 | (1;000) | ✗ | 27/01/17 |
CaCdGe | ICSD | 52750 | P-62m (189) | ✗ | 9 | 78 | 3 | 0.0 | 0.026 | 0.212 | (1;000) | ✔ | 05/12/16 |
ScAlNi2 | ICSD | 58050 | Fm-3m (225) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.637 | (0;000) | ✗ | 05/01/17 |
Na2Pd(SeO4)2 | ICSD | 249506 | P-1 (2) | ✔ | 13 | 96 | 2 | 1.7145 | 1.715 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaAlNi2 | ICSD | 608870 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.260 | (1;000) | ✗ | 05/01/17 |
Na2Ti2Sb2O | ICSD | 91204 | I4/mmm (139) | ✔ | 7 | 58 | 1 | 0.0 | 0.019 | 0.592 | (0;000) | ✗ | 27/01/17 |
FeBiO3 | ICSD | 109370 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.508 | ? | ✗ | 06/10/16 |
AlVNi2 | ICSD | 58071 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.007 | 0.267 | (1;000) | ✗ | 05/01/17 |
Ti2AlN | ICSD | 184882 | P6_3/mmc (194) | ✔ | 8 | 64 | 3 | 0.0 | 0.009 | 0.549 | (1;000) | ✗ | 05/01/17 |
Bi8Se9 | ICSD | 42665 | R-3m (166) | ✔ | 17 | 94 | 2 | 0.0 | 0.024 | 0.183 | (0;111) | ✗ | 06/10/16 |
FeBiO3 | ICSD | 15299 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.535 | ? | ✗ | 06/10/16 |
Ti3AlN | ICSD | 52642 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.000 | 0.240 | (0;111) | ✗ | 05/01/17 |
Na5ReO6 | ICSD | 38382 | C2/m (12) | ✔ | 12 | 96 | 1 | 2.3756 | 2.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na | ICSD | 189460 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.273 | 0.143 | (0;000) | ✗ | 27/01/17 |
NaNbO2 | ICSD | 73111 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.3537 | 1.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr3AlN | ICSD | 29521 | Cmcm (63) | ✔ | 10 | 40 | 3 | 0.0 | 0.000 | 0.916 | (0;000) | ✗ | 05/01/17 |
FeBiO3 | ICSD | 154394 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.876 | ? | ✗ | 06/10/16 |
RbAlO2 | ICSD | 28373 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 3.7643 | 3.769 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaNbS2 | ICSD | 26285 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.6029 | 1.331 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNbSe2 | ICSD | 26287 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.3899 | 1.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaO2 | ICSD | 26582 | Pa3 (205) | ✔ | 12 | 84 | 1 | 0.0 | 0.000 | 0.289 | (0;111) | ✗ | 27/01/17 |
NaRhO2 | ICSD | 66280 | R-3m (166) | ✔ | 4 | 38 | 2 | 1.4316 | 1.523 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaO2 | ICSD | 87181 | Pnnm (58) | ✔ | 6 | 42 | 1 | 0.0 | 0.000 | 0.983 | (0;101) | ✗ | 27/01/17 |
NaScO2 | ICSD | 25729 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7686 | 4.439 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaTlO2 | ICSD | 33630 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.5868 | 0.737 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaVO2 | ICSD | 420137 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.0 | 0.003 | 0.470 | (0;000) | ✗ | 27/01/17 |
RbNaTiO3 | ICSD | 78753 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7013 | 3.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
InSb | ICSD | 10021 | Pm2m (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.061 | 0.615 | (0;001) | ✔ | 06/10/16 |
NaTaO3 | ICSD | 28617 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.2699 | 2.960 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi8Te9 | ICSD | 106330 | R-3m (166) | ✔ | 17 | 94 | 1 | 0.0 | 0.033 | 0.669 | (0;111) | ✗ | 06/10/16 |
NaPd3O4 | ICSD | 245608 | Pm-3n (223) | ✔ | 16 | 174 | 3 | 0.0 | 0.000 | 0.909 | (0;000) | ✗ | 27/01/17 |
NaPt3O4 | ICSD | 32546 | Pm-3n (223) | ✔ | 16 | 126 | 3 | 0.0 | 0.000 | 0.761 | (1;000) | ✗ | 27/01/17 |
NaReO4 | ICSD | 52337 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.8048 | 3.880 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeBiO3 | ICSD | 157424 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.775 | ? | ✗ | 06/10/16 |
AlTlO2 | ICSD | 29010 | R-3m (166) | ✔ | 8 | 56 | 3 | 1.3755 | 1.384 | 0.000 | (0;000) | ✗ | 05/01/17 |
FeBiO3 | ICSD | 158760 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.520 | ? | ✗ | 06/10/16 |
NaV(SO4)2 | ICSD | 71760 | C2/m (12) | ✔ | 12 | 82 | 2 | 0.0 | 0.024 | 0.674 | (0;000) | ✗ | 27/01/17 |
AlPO4 | ICSD | 159272 | Cmcm (63) | ✔ | 12 | 64 | 3 | 6.2169 | 6.335 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbNaO | ICSD | 61092 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.2509 | 2.368 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi9I2 | ICSD | 39257 | P2_1/m (11) | ✔ | 22 | 118 | 3 | 0.0 | 0.000 | 0.931 | (1;011) | ✗ | 06/10/16 |
NaZnP | ICSD | 61083 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.8574 | 0.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeBiO3 | ICSD | 160918 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.645 | ? | ✗ | 06/10/16 |
FeBiO3 | ICSD | 163687 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.492 | ? | ✗ | 06/10/16 |
NaScS2 | ICSD | 644971 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.6051 | 2.392 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaVS2 | ICSD | 76541 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.0 | 0.003 | 0.331 | (0;000) | ✗ | 27/01/17 |