▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HgS | ICSD | 31129 | P3_121 (152) | ✗ | 6 | 54 | 3 | 0.0 | 0.010 | 0.199 | (0;000) | ✔ | 06/10/16 |
KHSeO3 | ICSD | 20862 | P-1 (2) | ✔ | 12 | 68 | 1 | 4.525 | 4.707 | 0.000 | (0;000) | ✗ | 27/01/17 |
KH | COD | 9008653 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.434 | 3.434 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li4HN | COD | 8100739 | I4_1/a (88) | ✔ | 12 | 36 | 1 | 2.0734 | 2.437 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 168811 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 2.1934 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiH | COD | 9008668 | Fm-3m (225) | ✔ | 2 | 4 | 1 | 2.9949 | 2.995 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiHO | COD | 9008958 | P4/nmm (129) | ✔ | 6 | 20 | 1 | 4.2789 | 4.279 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na3MgP2HO8 | COD | 2004175 | P-1 (2) | ✔ | 15 | 96 | 3 | 5.0699 | 5.070 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnH | ICSD | 108535 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.001 | 0.817 | (0;000) | ✗ | 27/01/17 |
MnHO2 | COD | 9009773 | Pnma (62) | ✔ | 16 | 112 | 3 | 0.0 | 0.030 | 0.465 | (0;000) | ✗ | 27/01/17 |
MoH | ICSD | 108537 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.834 | (0;000) | ✗ | 27/01/17 |
NaH | COD | 9008680 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.7143 | 4.558 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaHO | ICSD | 26833 | P2_1/m (11) | ✔ | 6 | 32 | 1 | 1.8213 | 1.821 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaHO | ICSD | 61045 | Cmcm (63) | ✔ | 6 | 32 | 1 | 3.0099 | 3.010 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn2PHO5 | COD | 9009553 | P-1 (2) | ✔ | 18 | 120 | 3 | 3.4318 | 3.541 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaZnF4 | ICSD | 16925 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6253 | 4.625 | 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 |
Al2O3 | ICSD | 169723 | Pbcn (60) | ✔ | 20 | 96 | 3 | 8.5906 | 8.591 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbH | COD | 9008709 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 2.9175 | 2.918 | 0.000 | (0;000) | ✗ | 27/01/17 |
HRh | ICSD | 56168 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.615 | (0;000) | ✗ | 27/01/17 |
BaZnF4 | ICSD | 182604 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6595 | 4.660 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2O3 | COD | 1200005 | C2/m (12) | ✔ | 10 | 48 | 3 | 4.5991 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
Al2O3 | COD | 9009681 | R-3c (167) | ✔ | 10 | 48 | 3 | 6.3488 | 6.349 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaZnF4 | ICSD | 182605 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.7095 | 4.712 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2ZnO4 | COD | 9007027 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 4.3543 | 4.357 | 0.000 | (0;000) | ✗ | 05/01/17 |
Al2Os | ICSD | 58108 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.28 | 1.167 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaZnF4 | ICSD | 182606 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.704 | 4.735 | 0.000 | (0;000) | ✗ | 06/10/16 |
YIn2Ni | ICSD | 413459 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.860 | (0;000) | ✗ | 27/01/17 |
In2O3 | ICSD | 181835 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.4566 | 1.721 | 0.000 | (0;000) | ✗ | 27/01/17 |
In2O3 | COD | 4343793 | R-3c (167) | ✔ | 10 | 88 | 3 | 1.2828 | 1.318 | 0.000 | (0;000) | ✗ | 02/02/17 |
In2PO5 | ICSD | 413858 | P-1 (2) | ✔ | 16 | 122 | 3 | 2.4935 | 2.711 | 0.000 | (0;000) | ✗ | 27/01/17 |
In2Si2O7 | COD | 8101227 | C2/m (12) | ✔ | 11 | 76 | 3 | 3.1038 | 3.104 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(AlPb)2 | ICSD | 25336 | I4/mmm (139) | ✔ | 5 | 44 | 3 | 0.0 | 0.012 | 0.366 | (0;000) | ✗ | 05/01/17 |
Al2Pd | ICSD | 58116 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 0.0 | 0.018 | 0.855 | (0;000) | ✗ | 05/01/17 |
In2Pt | COD | 9009034 | Fm-3m (225) | ✔ | 3 | 36 | 3 | 0.0 | 0.022 | 0.831 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 168815 | Pnab (60) | ✔ | 20 | 112 | 3 | 1.6331 | 1.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrIn2Rh | ICSD | 410403 | Cmcm (63) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.796 | (0;000) | ✗ | 27/01/17 |
In2Se3 | ICSD | 602266 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.470 | 0.035 | (0;000) | ✗ | 27/01/17 |
BaZnF4 | ICSD | 182607 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.5127 | 4.584 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrIn2 | ICSD | 414235 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.058 | 0.204 | (0;000) | ✗ | 27/01/17 |
Al2Pt | COD | 9009032 | Fm-3m (225) | ✔ | 3 | 16 | 3 | 0.0 | 0.009 | 0.823 | (0;000) | ✗ | 05/01/17 |
Al2Ru | ICSD | 609228 | Fddd (70) | ✔ | 6 | 44 | 3 | 0.0583 | 1.223 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaZnF4 | ICSD | 182609 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6699 | 4.690 | 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 |
Bi2O3 | ICSD | 172529 | Pbnb (56) | ✔ | 20 | 112 | 3 | 2.2888 | 2.289 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIn | ICSD | 639880 | Fd-3m (227) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.232 | (0;000) | ✗ | 27/01/17 |
LiInO2 | ICSD | 639886 | I4_1/amd (141) | ✔ | 8 | 56 | 3 | 1.4431 | 1.809 | 0.000 | (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 |
Mg3In | ICSD | 639928 | P6_3/mmc (194) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.635 | (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 |
MnInO3 | ICSD | 67671 | P6_3/mmc (194) | ✔ | 10 | 92 | 3 | 0.0 | 0.013 | 0.600 | (0;000) | ✗ | 27/01/17 |
BaZnF4 | ICSD | 402925 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6827 | 4.712 | 0.000 | (0;000) | ✗ | 06/10/16 |
InMoS2 | ICSD | 603787 | P6_3/mmc (194) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.779 | (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 |
NaInO2 | ICSD | 31932 | R-3m (166) | ✔ | 4 | 34 | 3 | 0.5146 | 0.664 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaInS2 | ICSD | 640037 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.9197 | 2.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaInSe2 | ICSD | 25558 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.0445 | 1.212 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb3In | ICSD | 51996 | Pm-3n (223) | ✔ | 8 | 104 | 3 | 0.0 | 0.003 | 0.746 | (0;000) | ✗ | 27/01/17 |
NbInO4 | COD | 1524100 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.3256 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(AlSi)2 | ICSD | 609338 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.382 | 0.180 | (0;000) | ✗ | 05/01/17 |
SrAl2 | ICSD | 246192 | Fd-3m (227) | ✔ | 6 | 32 | 3 | 0.0 | 0.005 | 0.597 | (0;000) | ✗ | 05/01/17 |
ScInNi2 | ICSD | 59446 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.665 | (0;000) | ✗ | 27/01/17 |
BaZnF4 | ICSD | 402926 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.7142 | 4.744 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrAl2 | ICSD | 58166 | Imma (74) | ✔ | 6 | 32 | 3 | 0.0 | 0.116 | 0.252 | (0;000) | ✗ | 05/01/17 |
CuBr | ICSD | 23989 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3072 | 0.310 | 0.000 | (0;000) | ✔ | 06/10/16 |
InN | ICSD | 41501 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5638 | 1.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 186365 | P-3m1 (164) | ✔ | 5 | 48 | 3 | 0.4261 | 1.051 | 0.000 | (0;000) | ✗ | 05/01/17 |
YAl2 | ICSD | 609660 | Fd-3m (227) | ✔ | 6 | 34 | 3 | 0.0 | 0.000 | 0.752 | (0;000) | ✗ | 05/01/17 |
LiAl3 | ICSD | 57952 | Pm-3m (221) | ✔ | 4 | 12 | 3 | 0.0 | 0.000 | 0.820 | (0;000) | ✗ | 05/01/17 |
Bi2O3 | ICSD | 261777 | Pccn (56) | ✔ | 20 | 112 | 3 | 2.3002 | 2.300 | 0.000 | (0;000) | ✗ | 06/10/16 |
InPO4 | COD | 2310636 | Cmcm (63) | ✔ | 12 | 84 | 3 | 2.9447 | 3.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaInO4 | COD | 4329321 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.8358 | 3.989 | 0.000 | (0;000) | ✗ | 27/01/17 |
VInO4 | COD | 4336635 | Cmcm (63) | ✔ | 12 | 100 | 3 | 3.1178 | 3.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSO4 | ICSD | 54024 | P-1 (2) | ✔ | 12 | 78 | 1 | 3.8529 | 3.879 | 0.000 | (0;000) | ✗ | 27/01/17 |
VInO4 | COD | 4336636 | P2/c (13) | ✔ | 12 | 100 | 3 | 1.0414 | 1.150 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2TaInO6 | ICSD | 188420 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 3.9979 | 3.998 | 0.000 | (0;000) | ✗ | 27/01/17 |
InP3 | ICSD | 37073 | R-3m (166) | ✔ | 8 | 56 | 3 | 0.0 | 0.002 | 0.443 | (0;000) | ✗ | 27/01/17 |
BaPIr | ICSD | 73529 | P2_13 (198) | ✗ | 12 | 128 | 3 | 0.0 | 0.000 | 0.394 | (0;000) | ✔ | 05/12/16 |
NbAl3 | ICSD | 608672 | I4/mmm (139) | ✔ | 4 | 22 | 3 | 0.0 | 0.014 | 0.227 | (0;000) | ✗ | 05/01/17 |
ScInPd2 | ICSD | 59481 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.000 | 0.685 | (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 |
InP | ICSD | 188692 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.031 | 0.246 | (0;000) | ✗ | 27/01/17 |
BaLiP | ICSD | 56444 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.6342 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaAl3 | COD | 4312726 | I4/mmm (139) | ✔ | 4 | 22 | 3 | 0.0 | 0.004 | 0.180 | (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 |
Al3V | ICSD | 609617 | I4/mmm (139) | ✔ | 4 | 22 | 3 | 0.0 | 0.008 | 0.187 | (0;000) | ✗ | 05/01/17 |
InRh | ICSD | 59515 | Pm-3m (221) | ✔ | 2 | 30 | 3 | 0.0 | 0.005 | 0.393 | (0;000) | ✗ | 27/01/17 |
HgSe | ICSD | 639202 | P3_221 (154) | ✗ | 6 | 54 | 3 | 0.6513 | 0.710 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaInS2 | ICSD | 640379 | P6_3/mmc (194) | ✔ | 8 | 76 | 3 | 0.0 | 0.160 | 0.073 | (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 |
BaMnO3 | ICSD | 23873 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
BaMnO3 | ICSD | 24129 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
ZrAl3 | COD | 2100751 | I4/mmm (139) | ✔ | 8 | 26 | 3 | 0.0 | 0.005 | 0.764 | (0;000) | ✗ | 05/01/17 |
InSb | COD | 1525500 | Pmmn (59) | ✔ | 4 | 36 | 3 | 0.0 | 0.010 | 0.580 | (0;000) | ✗ | 27/01/17 |
BiO2 | ICSD | 79500 | C2/c (15) | ✔ | 12 | 68 | 3 | 1.4798 | 1.526 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuBr | ICSD | 30091 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.4343 | 0.434 | 0.000 | (0;000) | ✔ | 27/01/17 |
HgTe | ICSD | 162603 | P3_121 (152) | ✗ | 6 | 54 | 0 | 0.1243 | 0.414 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaNaP | ICSD | 402227 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8483 | 0.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(Al2Fe)4 | ICSD | 606314 | I4/mmm (139) | ✔ | 13 | 66 | 3 | 0.0 | 0.002 | 0.762 | (0;000) | ✗ | 05/01/17 |
Hf(Al2Fe)4 | ICSD | 607535 | I4/mmm (139) | ✔ | 13 | 68 | 3 | 0.0 | 0.009 | 0.814 | (0;000) | ✗ | 05/01/17 |