▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AlN | ICSD | 82790 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 4.4303 | 4.430 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaS | COD | 9008606 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.3258 | 3.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrZn | ICSD | 106235 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 0.0 | 0.022 | 0.090 | (0;111) | ✗ | 27/01/17 |
MgSe | COD | 9008673 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 1.6665 | 2.469 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiTl | COD | 1523144 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 0.0 | 0.724 | 0.531 | (0;000) | ✗ | 27/01/17 |
ZrZn | COD | 1527718 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.085 | 0.440 | (1;000) | ✗ | 27/01/17 |
CaTe | COD | 9008608 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.1904 | 2.349 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrS | COD | 9008728 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.4425 | 2.896 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrTe2 | ICSD | 653213 | P-3m1 (164) | ✔ | 3 | 16 | 2 | 0.0 | 0.002 | 0.303 | (1;001) | ✗ | 27/01/17 |
BC2N | ICSD | 191799 | P-4m2 (115) | ✗ | 4 | 16 | 3 | 1.4495 | 2.182 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiFeP | ICSD | 187135 | I4mm (107) | ✗ | 3 | 16 | 3 | 0.0 | 1.023 | 0.012 | (0;000) | ✔ | 07/10/16 |
SrS | ICSD | 52111 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 1.0911 | 1.447 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsBr | COD | 9008788 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 4.492 | 4.492 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaLiH3 | ICSD | 416463 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 2.2583 | 2.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ge | ICSD | 636533 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 0.0 | 0.016 | 0.006 | (1;000) | ✗ | 27/01/17 |
BaLiH3 | ICSD | 23977 | Pm-3m (221) | ✔ | 5 | 16 | 3 | 0.0 | 0.003 | 0.111 | (0;111) | ✗ | 05/01/17 |
SrTe | ICSD | 52491 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 0.0 | 0.039 | 0.061 | (1;000) | ✗ | 27/01/17 |
BC2N | ICSD | 191797 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 2.0673 | 2.222 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgS | COD | 9008672 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 2.7586 | 3.688 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScSb | COD | 1527139 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.001 | 0.233 | (0;000) | ✗ | 27/01/17 |
AlAs | ICSD | 56967 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 0.0 | 1.384 | 0.282 | (0;000) | ✗ | 05/01/17 |
SrTe | COD | 9008730 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.153 | 1.986 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbI | ICSD | 61523 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.0742 | 3.078 | 0.000 | (0;000) | ✗ | 30/01/17 |
Be | COD | 9013111 | P2_12_12 (18) | ✗ | 4 | 16 | 1 | 0.0 | 0.006 | 0.146 | (0;000) | ✔ | 15/03/17 |
HfB2 | COD | 1510711 | P6/mmm (191) | ✔ | 3 | 18 | 3 | 0.0 | 0.020 | 0.133 | (0;001) | ✗ | 05/01/17 |
CdSe | ICSD | 181026 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.749 | 0.105 | (0;000) | ✗ | 27/01/17 |
SrLiP | ICSD | 56443 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.3973 | 0.955 | 0.000 | (0;000) | ✔ | 06/10/16 |
CuI | ICSD | 157431 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.9584 | 0.959 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuF | ICSD | 52273 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.027 | 0.037 | (1;000) | ✔ | 06/10/16 |
InAs | ICSD | 610696 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.018 | 0.367 | (1;000) | ✗ | 05/01/17 |
WC | ICSD | 185980 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.006 | 0.526 | (0;000) | ✗ | 27/01/17 |
LiHF2 | ICSD | 23883 | R-3m (166) | ✔ | 4 | 18 | 1 | 8.2121 | 8.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnTe | ICSD | 104196 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.0183 | 1.018 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrC2 | COD | 1522125 | I4/mmm (139) | ✔ | 3 | 18 | 1 | 1.9456 | 2.680 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs | COD | 9012725 | Cmcm (63) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.898 | (1;000) | ✗ | 27/01/17 |
Cs | ICSD | 57180 | P6_3/mmc (194) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.705 | (1;000) | ✗ | 27/01/17 |
TcB | ICSD | 168895 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.545 | (1;100) | ✔ | 06/10/16 |
LiNiN | ICSD | 411151 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.0 | 0.000 | 0.968 | (1;100) | ✔ | 06/10/16 |
HgO | ICSD | 16627 | Im2m (44) | ✗ | 2 | 18 | 3 | 0.0 | 0.002 | 0.206 | (1;000) | ✔ | 04/10/16 |
CuCl | ICSD | 23988 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3607 | 0.361 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaC2 | ICSD | 186576 | R-3m (166) | ✔ | 3 | 18 | 1 | 1.1314 | 1.919 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs | ICSD | 150187 | I4_1/amd (141) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.599 | (1;111) | ✗ | 27/01/17 |
CdTe | ICSD | 108238 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.528 | 0.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdTe | ICSD | 108237 | Pm2m (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.032 | 0.374 | (0;110) | ✔ | 06/10/16 |
AgI | ICSD | 161579 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1056 | 1.107 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdSe | ICSD | 180931 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3656 | 0.366 | 0.000 | (0;000) | ✔ | 06/10/16 |
CdS | ICSD | 600773 | I2mm (44) | ✗ | 2 | 18 | 3 | 0.0 | 2.665 | 0.027 | (0;000) | ✔ | 06/10/16 |
CdS | ICSD | 159379 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1498 | 1.150 | 0.000 | (0;000) | ✗ | 06/10/16 |
MoC | ICSD | 618302 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 27/01/17 |
SiSn | ICSD | 184676 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3735 | 1.360 | 0.000 | (0;000) | ✔ | 06/10/16 |
CuCl | COD | 9013928 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5958 | 1.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
InP | ICSD | 188692 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.031 | 0.246 | (0;000) | ✗ | 27/01/17 |
CdO | COD | 9006677 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.039 | 0.074 | (0;000) | ✗ | 27/01/17 |
ZrTe | ICSD | 410867 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.093 | (1;100) | ✔ | 04/10/16 |
InSb | ICSD | 44641 | Pm-3m (221) | ✔ | 2 | 18 | 3 | 0.0 | 0.033 | 0.511 | (1;000) | ✗ | 27/01/17 |
InSb | ICSD | 44642 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.015 | 0.582 | (1;000) | ✗ | 27/01/17 |
LiNiN | ICSD | 247028 | P-6m2 (187) | ✗ | 3 | 18 | 3 | 0.0 | 0.000 | 0.971 | (1;100) | ✔ | 06/10/16 |
ZnS | ICSD | 107611 | R3m (160) | ✗ | 2 | 18 | 3 | 2.1125 | 2.113 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlSb | COD | 1010882 | Pm-3m (221) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.611 | (0;000) | ✗ | 27/01/17 |
SnC | ICSD | 182365 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.4951 | 0.495 | 0.000 | (0;000) | ✔ | 06/10/16 |
GaN | ICSD | 155050 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.7442 | 3.044 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaGe2 | ICSD | 77316 | R-3m (166) | ✔ | 3 | 18 | 1 | 0.0 | 0.016 | 0.347 | (0;000) | ✗ | 27/01/17 |
TlAs | ICSD | 184574 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.142 | (1;000) | ✔ | 04/10/16 |
TiS | ICSD | 52193 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.159 | (1;100) | ✔ | 04/10/16 |
Rb | ICSD | 109018 | I4_1/amd (141) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.554 | (1;111) | ✗ | 27/01/17 |
VN | ICSD | 236783 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.388 | (1;000) | ✔ | 06/10/16 |
VN | ICSD | 191061 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.163 | (1;100) | ✔ | 06/10/16 |
BiTeI | ICSD | 74501 | P3m1 (156) | ✗ | 3 | 18 | 2 | 0.0 | 0.003 | 0.261 | (0;000) | ✔ | 06/10/16 |
TlN | ICSD | 184575 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.012 | 0.003 | (1;000) | ✔ | 06/10/16 |
BiTeI | ICSD | 79364 | P3m1 (156) | ✗ | 3 | 18 | 2 | 0.0 | 0.006 | 0.006 | (1;100) | ✔ | 06/10/16 |
FePt | COD | 9004222 | P4/mmm (123) | ✔ | 2 | 18 | 3 | 0.0 | 0.005 | 0.856 | (1;001) | ✗ | 27/01/17 |
NbN | ICSD | 191062 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.200 | (0;100) | ✔ | 06/10/16 |
HRh | ICSD | 56168 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.615 | (0;000) | ✗ | 27/01/17 |
Pd | COD | 1512531 | Fm-3m (225) | ✔ | 1 | 18 | 3 | 0.0 | 0.000 | 0.584 | (0;000) | ✗ | 27/01/17 |
BiTeI | ICSD | 263109 | P3m1 (156) | ✗ | 3 | 18 | 2 | 0.1819 | 0.182 | 0.000 | (0;000) | ✔ | 06/10/16 |
MoC | ICSD | 618300 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.384 | (0;100) | ✔ | 06/10/16 |
MoC | ICSD | 183166 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.417 | (0;000) | ✔ | 06/10/16 |
InAs | ICSD | 165462 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.009 | (1;000) | ✔ | 06/10/16 |
HgS | COD | 9000004 | R-3m (166) | ✔ | 2 | 18 | 3 | 0.0 | 0.083 | 0.269 | (1;000) | ✗ | 27/01/17 |
GaAs | ICSD | 43951 | Pm2m (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.019 | 0.600 | (0;011) | ✔ | 06/10/16 |
HgTe | COD | 1010537 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.386 | (0;000) | ✗ | 27/01/17 |
GaAs | ICSD | 43950 | I2mm (44) | ✗ | 2 | 18 | 3 | 0.0 | 0.036 | 0.463 | (0;111) | ✔ | 06/10/16 |
TlSb | ICSD | 184577 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.220 | (0;000) | ✔ | 06/10/16 |
CrC | ICSD | 181709 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.443 | (0;100) | ✔ | 06/10/16 |
BaSi2 | COD | 1527353 | P-3m1 (164) | ✔ | 3 | 18 | 2 | 0.0 | 0.020 | 0.229 | (0;001) | ✗ | 05/01/17 |
LaS | ICSD | 69581 | Cm2e (39) | ✗ | 4 | 18 | 2 | 0.0 | 0.001 | 0.772 | (0;010) | ✔ | 06/10/16 |
GaAs | ICSD | 107946 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.4268 | 0.427 | 0.000 | (0;000) | ✔ | 06/10/16 |
TlP | ICSD | 184576 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.014 | (1;000) | ✔ | 06/10/16 |
AlRe | ICSD | 58146 | Pm-3m (221) | ✔ | 2 | 18 | 3 | 0.0 | 0.002 | 0.680 | (1;111) | ✗ | 05/01/17 |
VN | COD | 9008765 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.520 | (0;000) | ✗ | 27/01/17 |
LiBi | ICSD | 58796 | P4/mmm (123) | ✔ | 2 | 18 | 2 | 0.0 | 0.028 | 0.500 | (1;000) | ✗ | 05/01/17 |
InSb | ICSD | 57396 | Pmm2 (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.047 | 0.593 | (0;011) | ✔ | 06/10/16 |
InSb | ICSD | 162196 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0313 | 0.000 | 0.009 | (1;000) | ✔ | 06/10/16 |
InSb | ICSD | 10021 | Pm2m (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.061 | 0.615 | (0;001) | ✔ | 06/10/16 |
BiTeI | ICSD | 10500 | P3m1 (156) | ✗ | 3 | 18 | 2 | 0.0 | 0.006 | 0.255 | (0;000) | ✔ | 06/10/16 |
CuBr | COD | 9013935 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.451 | 0.044 | (0;000) | ✗ | 27/01/17 |
BaLiAs | ICSD | 56445 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.4512 | 0.451 | 0.000 | (0;000) | ✔ | 06/10/16 |
CrC | ICSD | 57008 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.677 | (1;000) | ✗ | 27/01/17 |
InP | ICSD | 165466 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3939 | 0.394 | 0.000 | (0;000) | ✔ | 06/10/16 |
TiB2 | COD | 2002799 | P6/mmm (191) | ✔ | 3 | 18 | 3 | 0.0 | 0.010 | 0.123 | (0;001) | ✗ | 05/01/17 |