▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
K3Sb | ICSD | 44677 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.6121 | 0.612 | 0.000 | (0;000) | ✗ | 27/01/17 |
KTlO2 | ICSD | 33553 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.9793 | 1.140 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2MgPb | COD | 1522014 | Fm-3m (225) | ✔ | 4 | 30 | 1 | 0.0 | 0.000 | 0.455 | (1;000) | ✗ | 27/01/17 |
Li3Tl | COD | 7221247 | Fm-3m (225) | ✔ | 4 | 22 | 1 | 0.0 | 0.000 | 0.826 | (0;000) | ✗ | 27/01/17 |
ZrIr | ICSD | 657956 | P2_1/m (11) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.743 | (1;001) | ✗ | 27/01/17 |
MgSe | ICSD | 658986 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 2.3123 | 2.313 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScAlAg2 | COD | 1509642 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.005 | 0.281 | (1;000) | ✗ | 05/01/17 |
VIr | COD | 2310206 | Cmmm (65) | ✔ | 4 | 60 | 3 | 0.0 | 0.017 | 0.606 | (0;111) | ✗ | 27/01/17 |
Ca3Pb | ICSD | 58921 | Pm-3m (221) | ✔ | 4 | 44 | 1 | 0.0 | 0.000 | 0.240 | (1;111) | ✗ | 27/01/17 |
IrW | COD | 1523681 | Pmma (51) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.984 | (0;101) | ✗ | 27/01/17 |
SbIr | ICSD | 44481 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.006 | 0.557 | (1;000) | ✗ | 27/01/17 |
TlCl | ICSD | 109143 | Cmcm (63) | ✔ | 4 | 40 | 1 | 2.1142 | 2.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnIr | COD | 1522618 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.902 | (0;000) | ✗ | 27/01/17 |
MgO | ICSD | 161842 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 3.6457 | 3.646 | 0.000 | (0;000) | ✗ | 06/10/16 |
InCl | ICSD | 2430 | Cmcm (63) | ✔ | 4 | 40 | 1 | 1.443 | 1.529 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2NCl | ICSD | 62555 | R-3m (166) | ✔ | 4 | 32 | 1 | 2.3335 | 2.334 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiAlAg2 | COD | 1509977 | Fm-3m (225) | ✔ | 4 | 28 | 3 | 0.0 | 0.000 | 0.853 | (0;000) | ✗ | 05/01/17 |
IrPb | COD | 1522693 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.897 | (1;000) | ✗ | 27/01/17 |
TeIr | COD | 9008897 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
VIr3 | COD | 1523511 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.005 | 0.606 | (0;111) | ✗ | 27/01/17 |
CdTe | ICSD | 246692 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.131 | 0.244 | (0;000) | ✗ | 27/01/17 |
MgCd | ICSD | 102022 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.023 | 0.371 | (0;100) | ✗ | 06/10/16 |
LiRh3 | ICSD | 642290 | Im2m (44) | ✗ | 4 | 54 | 3 | 0.0 | 0.001 | 0.690 | (0;101) | ✔ | 06/10/16 |
Ca3Hg | ICSD | 58903 | Pm-3m (221) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.492 | (1;000) | ✗ | 27/01/17 |
CaZn | ICSD | 58944 | Ccmm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.019 | 0.538 | (0;110) | ✗ | 06/10/16 |
LiAuC2 | ICSD | 411253 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.3575 | 1.469 | 0.000 | (0;000) | ✗ | 06/10/16 |
MoIr | COD | 1523679 | Pmma (51) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.817 | (0;001) | ✗ | 27/01/17 |
CaZn | ICSD | 184361 | Cmcm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.012 | 0.543 | (1;110) | ✗ | 27/01/17 |
LaS | ICSD | 69581 | Cm2e (39) | ✗ | 4 | 18 | 2 | 0.0 | 0.001 | 0.772 | (0;010) | ✔ | 06/10/16 |
CaSn | ICSD | 55220 | Ccmm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.013 | 0.316 | (1;000) | ✗ | 06/10/16 |
CaSn | ICSD | 165193 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.065 | 0.315 | (0;110) | ✗ | 06/10/16 |
ScIr3 | ICSD | 108568 | Pm-3m (221) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.623 | (0;000) | ✗ | 27/01/17 |
CaSi | ICSD | 190659 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.007 | 0.172 | (1;000) | ✗ | 06/10/16 |
GaAs | ICSD | 190423 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.685 | 0.685 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaGe | ICSD | 185653 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.031 | 0.197 | (0;110) | ✗ | 06/10/16 |
NbIr3 | COD | 1523509 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.089 | 0.537 | (1;000) | ✗ | 27/01/17 |
TaIr3 | COD | 1523510 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.038 | 0.460 | (1;000) | ✗ | 27/01/17 |
CaGa | ICSD | 260641 | Ccmm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 06/10/16 |
NaVS2 | ICSD | 644994 | R3m (160) | ✗ | 4 | 34 | 1 | 0.0 | 0.004 | 0.353 | (1;000) | ✔ | 06/10/16 |
LiIr3 | ICSD | 104488 | Im2m (44) | ✗ | 4 | 30 | 3 | 0.0 | 0.003 | 0.660 | (0;111) | ✔ | 06/10/16 |
RbCuC2 | ICSD | 391118 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.9709 | 2.051 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlInS2 | ICSD | 25354 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.5619 | 1.248 | 0.000 | (0;000) | ✗ | 27/01/17 |
InSb | COD | 1525500 | Pmmn (59) | ✔ | 4 | 36 | 3 | 0.0 | 0.010 | 0.580 | (0;000) | ✗ | 27/01/17 |
YInPd2 | ICSD | 59484 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.000 | 0.654 | (0;000) | ✗ | 27/01/17 |
RbAuC2 | ICSD | 411252 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.7472 | 1.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScInPd2 | ICSD | 59481 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.000 | 0.685 | (0;000) | ✗ | 27/01/17 |
InSe | ICSD | 32714 | C2/m (12) | ✔ | 4 | 38 | 2 | 1.1651 | 1.346 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na3As | COD | 1008538 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.5854 | 0.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
ScInPt2 | ICSD | 59502 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.654 | (0;000) | ✗ | 27/01/17 |
Sc3In | ICSD | 59523 | Pm-3m (221) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.873 | (1;111) | ✗ | 27/01/17 |
FeN | COD | 1524693 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.679 | (0;000) | ✗ | 27/01/17 |
InSe | ICSD | 1884 | R3m (160) | ✗ | 4 | 38 | 2 | 0.4229 | 0.424 | 0.000 | (0;000) | ✔ | 06/10/16 |
CsAuC2 | ICSD | 411251 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.6056 | 1.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCo | ICSD | 20954 | Cmcm (63) | ✔ | 4 | 56 | 3 | 0.0 | 0.028 | 0.138 | (0;000) | ✗ | 27/01/17 |
InSb | ICSD | 190430 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.021 | 0.007 | (1;000) | ✔ | 06/10/16 |
KAgC2 | ICSD | 410874 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 2.3634 | 2.681 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlBr | ICSD | 109144 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.8054 | 1.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNO2 | ICSD | 9265 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5403 | 2.720 | 0.000 | (0;000) | ✗ | 06/10/16 |
InBr | ICSD | 23126 | Ccmm (63) | ✔ | 4 | 40 | 3 | 1.3218 | 1.469 | 0.000 | (0;000) | ✗ | 06/10/16 |
KAuC2 | ICSD | 411255 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.8204 | 2.063 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNO2 | ICSD | 60765 | Im2m (44) | ✗ | 4 | 26 | 1 | 2.6408 | 2.815 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaNO2 | ICSD | 31824 | Imm2 (44) | ✗ | 4 | 26 | 1 | 1.8658 | 2.031 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiHF2 | ICSD | 23883 | R-3m (166) | ✔ | 4 | 18 | 1 | 8.2121 | 8.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgCdAg2 | COD | 1509770 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.852 | (0;000) | ✗ | 05/01/17 |
InP | ICSD | 180911 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5486 | 0.549 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgBiTe2 | COD | 1509245 | R-3m (166) | ✔ | 4 | 38 | 3 | 0.0 | 0.400 | 0.164 | (0;000) | ✗ | 05/01/17 |
TaB | COD | 2310099 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.035 | 0.321 | (1;000) | ✗ | 27/01/17 |
LiAgC2 | ICSD | 410868 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.2334 | 2.032 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiAs | COD | 1011052 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.767 | (1;000) | ✗ | 05/01/17 |
MnAsPd2 | ICSD | 107955 | Fm-3m (225) | ✔ | 4 | 56 | 3 | 0.0 | 0.000 | 0.858 | (1;000) | ✗ | 05/01/17 |
NaNO2 | ICSD | 76000 | Im2m (44) | ✗ | 4 | 26 | 1 | 2.5278 | 2.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
InN | ICSD | 181366 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.003 | 0.008 | (1;000) | ✔ | 06/10/16 |
ZrBr | COD | 4343762 | R-3m (166) | ✔ | 4 | 22 | 2 | 0.0 | 0.043 | 0.167 | (0;111) | ✗ | 27/01/17 |
NaAuC2 | ICSD | 411254 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.092 | 1.389 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgO | ICSD | 181458 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 3.275 | 3.275 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiCoO2 | COD | 4505482 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.0657 | 1.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCoO2 | ICSD | 96428 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.9734 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
CoHO2 | COD | 9009884 | R-3m (166) | ✔ | 4 | 30 | 3 | 1.0064 | 1.165 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaIn | ICSD | 640032 | Fd-3m (227) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.390 | (0;000) | ✗ | 27/01/17 |
C | COD | 9011577 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.060 | (0;000) | ✗ | 27/01/17 |
LiInSe2 | ICSD | 56531 | R-3m (166) | ✔ | 4 | 28 | 2 | 0.1689 | 0.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
C | COD | 9012242 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 3.3976 | 4.784 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiIn | ICSD | 639880 | Fd-3m (227) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.232 | (0;000) | ✗ | 27/01/17 |
MnInNi2 | ICSD | 639954 | Fm-3m (225) | ✔ | 4 | 48 | 3 | 0.0 | 0.000 | 0.630 | (0;000) | ✗ | 27/01/17 |
ScIn3 | ICSD | 59524 | Pm-3m (221) | ✔ | 4 | 50 | 3 | 0.0 | 0.030 | 0.389 | (0;111) | ✗ | 27/01/17 |
YIn3 | ICSD | 59569 | Pm-3m (221) | ✔ | 4 | 50 | 3 | 0.0 | 0.007 | 0.390 | (0;111) | ✗ | 27/01/17 |
IBr | ICSD | 22120 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.2772 | 1.287 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaNO2 | ICSD | 68707 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.4546 | 2.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2InIr | ICSD | 639824 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.005 | 0.483 | (1;000) | ✗ | 27/01/17 |
NaNO2 | ICSD | 280361 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.4411 | 2.622 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnInPd2 | ICSD | 51988 | Fm-3m (225) | ✔ | 4 | 64 | 3 | 0.0 | 0.000 | 0.584 | (1;000) | ✗ | 27/01/17 |
NaInO2 | ICSD | 31932 | R-3m (166) | ✔ | 4 | 34 | 3 | 0.5146 | 0.664 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNO2 | ICSD | 4243 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.6518 | 2.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaNO2 | ICSD | 43485 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5378 | 2.720 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiH | ICSD | 56181 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.468 | (0;011) | ✗ | 27/01/17 |
ZrH | ICSD | 56197 | P4_2/mmc (131) | ✔ | 4 | 10 | 3 | 0.0 | 0.000 | 0.547 | (0;101) | ✗ | 27/01/17 |
LiIn2Ir | COD | 1527270 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.003 | 0.869 | (1;000) | ✗ | 27/01/17 |
NaNO2 | ICSD | 82857 | Im2m (44) | ✗ | 4 | 26 | 1 | 2.4951 | 2.675 | 0.000 | (0;000) | ✗ | 06/10/16 |
H2 | COD | 9013088 | P6_3/mmc (194) | ✔ | 4 | 4 | 1 | 1.4218 | 1.712 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiIn2Rh | ICSD | 106806 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.002 | 0.869 | (1;000) | ✗ | 27/01/17 |