▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
KIn9Co2 | COD | 4301694 | P6/mmm (191) | ✔ | 12 | 160 | 3 | 0.0 | 0.003 | 0.823 | (0;001) | ✗ | 02/02/17 |
CrSn2 | COD | 1528217 | Fddd (70) | ✔ | 12 | 168 | 3 | 0.0 | 0.010 | 0.440 | (1;111) | ✗ | 02/02/17 |
CsYZnTe3 | COD | 4312038 | Cmcm (63) | ✔ | 12 | 100 | 1 | 1.1521 | 1.152 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfCu2Te3 | ICSD | 41072 | C2/m (12) | ✔ | 12 | 104 | 3 | 0.0 | 0.155 | 0.068 | (0;000) | ✗ | 02/02/17 |
K2TiS3 | ICSD | 72377 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.1523 | 1.152 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCaGe | ICSD | 52681 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.1551 | 0.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBr2 | COD | 1527183 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.134 | 4.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNaTe | ICSD | 67276 | Pnma (62) | ✔ | 12 | 96 | 1 | 1.7998 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPt2S3 | ICSD | 40062 | R-3m (166) | ✔ | 12 | 94 | 2 | 1.3757 | 1.377 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiSeO4 | ICSD | 25700 | Cmcm (63) | ✔ | 12 | 80 | 3 | 0.0 | 0.010 | 0.279 | (0;000) | ✗ | 27/01/17 |
Rb3NiO2 | ICSD | 424579 | P4_2/mnm (136) | ✔ | 12 | 98 | 2 | 0.0 | 0.000 | 0.589 | (0;000) | ✗ | 02/02/17 |
BaBrCl | ICSD | 35458 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.6167 | 4.617 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbCu2Br3 | ICSD | 150306 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.5398 | 1.540 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCaSn | ICSD | 58641 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.2045 | 0.227 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiP2 | COD | 9012503 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.443 | 0.107 | (0;000) | ✗ | 27/01/17 |
BaCl2 | COD | 1527182 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.8999 | 4.900 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnPd2 | ICSD | 649139 | Pnma (62) | ✔ | 12 | 192 | 3 | 0.0 | 0.009 | 0.364 | (0;000) | ✗ | 27/01/17 |
YNiP | ICSD | 189498 | P6_3/mmc (194) | ✔ | 12 | 104 | 3 | 0.0 | 0.003 | 0.547 | (1;000) | ✗ | 02/02/17 |
YNiP | ICSD | 646184 | P6_3/mmc (194) | ✔ | 12 | 104 | 3 | 0.0 | 0.015 | 0.564 | (1;000) | ✗ | 02/02/17 |
Zr4NiP | ICSD | 646191 | P4/mcc (124) | ✔ | 12 | 62 | 3 | 0.0 | 0.000 | 0.580 | (0;110) | ✗ | 02/02/17 |
NiS2 | COD | 9008391 | Pa3 (205) | ✔ | 12 | 88 | 3 | 0.0 | 0.005 | 0.619 | (1;000) | ✗ | 27/01/17 |
NbGeRh | ICSD | 637230 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.030 | 0.140 | (1;000) | ✗ | 27/01/17 |
ScNiP | ICSD | 50990 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.023 | 0.024 | (1;000) | ✗ | 27/01/17 |
NbNiGe | ICSD | 637228 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.386 | (1;011) | ✗ | 27/01/17 |
NiTePd | ICSD | 419759 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.019 | 0.604 | (1;000) | ✗ | 27/01/17 |
BaCaSi | ICSD | 52682 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0365 | 0.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrNiSb | ICSD | 408195 | Pnma (62) | ✔ | 12 | 76 | 3 | 0.0 | 0.001 | 0.451 | (0;011) | ✗ | 02/02/17 |
ZnF2 | ICSD | 20364 | Pbcn (60) | ✔ | 12 | 104 | 3 | 2.9733 | 2.973 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScNiSn | COD | 1522179 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.665 | (0;011) | ✗ | 02/02/17 |
NiSe2 | COD | 9012537 | Pa3 (205) | ✔ | 12 | 88 | 3 | 0.0 | 0.033 | 0.440 | (1;000) | ✗ | 02/02/17 |
BaScCuS3 | ICSD | 659165 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.9651 | 1.125 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbGePt | ICSD | 186940 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.312 | (1;011) | ✗ | 27/01/17 |
YSiNi | ICSD | 79598 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.811 | (0;011) | ✗ | 02/02/17 |
YNiSn | COD | 1523634 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.002 | 0.726 | (0;011) | ✗ | 02/02/17 |
Ta2Ni | ICSD | 644598 | P6_3/mcm (193) | ✔ | 12 | 144 | 3 | 0.0 | 0.008 | 0.597 | (0;000) | ✗ | 02/02/17 |
TeSeO4 | ICSD | 201413 | P1 (1) | ✗ | 12 | 72 | 3 | 3.0537 | 3.293 | 0.000 | (0;000) | ✗ | 06/10/16 |
CO2 | ICSD | 236929 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.0 | 0.002 | 0.536 | (0;000) | ✗ | 27/01/17 |
NiTe2 | ICSD | 646897 | Pa3 (205) | ✔ | 12 | 88 | 3 | 0.0 | 0.052 | 0.072 | (1;000) | ✗ | 02/02/17 |
BaPdF4 | ICSD | 108991 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.5233 | 1.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSnF4 | ICSD | 166207 | P4/nmm (129) | ✔ | 12 | 104 | 1 | 3.6554 | 3.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si3P2Pt | ICSD | 84944 | P1 (1) | ✗ | 12 | 64 | 3 | 0.6365 | 1.195 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaYCuS3 | ICSD | 659166 | Cmcm (63) | ✔ | 12 | 100 | 2 | 1.3296 | 1.455 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta4NiP | ICSD | 646156 | P4/mcc (124) | ✔ | 12 | 134 | 3 | 0.0 | 0.000 | 0.714 | (1;000) | ✗ | 27/01/17 |
VCoP | ICSD | 624659 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.439 | (1;011) | ✗ | 27/01/17 |
TaNiP | ICSD | 646155 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.028 | 0.235 | (0;000) | ✗ | 27/01/17 |
SbPdSe | ICSD | 171030 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.604 | ? | ✗ | 06/10/16 |
BaYCuTe3 | ICSD | 88716 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.2644 | 0.632 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbPdSe | ICSD | 648784 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.599 | ? | ✗ | 06/10/16 |
SbPdSe | ICSD | 93905 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.599 | ? | ✗ | 06/10/16 |
BaYCuSe3 | ICSD | 659169 | Cmcm (63) | ✔ | 12 | 100 | 2 | 1.0243 | 1.216 | 0.000 | (0;000) | ✗ | 02/02/17 |