▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
KYS2 | COD | 2105803 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.2739 | 2.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgCd | COD | 2310317 | Pmma (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.023 | 0.371 | (0;100) | ✗ | 27/01/17 |
CaW | ICSD | 28952 | I4_1/amd (141) | ✔ | 4 | 48 | 1 | 0.0 | 0.019 | 0.278 | (1;111) | ✗ | 27/01/17 |
LiC | COD | 1521871 | Immm (71) | ✔ | 4 | 14 | 1 | 3.5408 | 3.819 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgCNO | ICSD | 27678 | Cmmm (65) | ✔ | 4 | 26 | 1 | 0.0 | 0.106 | 0.264 | (0;110) | ✗ | 27/01/17 |
InN | ICSD | 181366 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.003 | 0.008 | (1;000) | ✔ | 06/10/16 |
InSe | ICSD | 1884 | R3m (160) | ✗ | 4 | 38 | 2 | 0.4229 | 0.424 | 0.000 | (0;000) | ✔ | 06/10/16 |
Li3Sb | COD | 1011380 | Fm-3m (225) | ✔ | 4 | 14 | 1 | 0.4978 | 2.071 | 0.000 | (0;000) | ✗ | 27/01/17 |
KP | COD | 9016510 | I4_1/amd (141) | ✔ | 4 | 28 | 1 | 0.0 | 0.015 | 0.048 | (1;111) | ✗ | 27/01/17 |
AgBiSe2 | COD | 9011022 | R-3m (166) | ✔ | 4 | 38 | 3 | 0.0 | 0.452 | 0.027 | (0;000) | ✗ | 05/01/17 |
KYTe2 | ICSD | 419995 | R-3m (166) | ✔ | 4 | 32 | 3 | 0.682 | 1.760 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaLi2N | COD | 1526563 | Cmmm (65) | ✔ | 4 | 20 | 2 | 0.0 | 0.008 | 0.571 | (1;110) | ✗ | 27/01/17 |
LiRhO2 | COD | 1008161 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.2294 | 1.393 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgPt3 | COD | 1522946 | P4/mmm (123) | ✔ | 4 | 40 | 3 | 0.0 | 0.034 | 0.414 | (1;000) | ✗ | 27/01/17 |
NaYS2 | COD | 2019542 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.241 | 3.060 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiNi | COD | 1522310 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.016 | 0.581 | (1;000) | ✗ | 27/01/17 |
CaFeO2 | COD | 4124115 | P4/mmm (123) | ✔ | 4 | 30 | 2 | 0.0 | 0.009 | 0.726 | (0;000) | ✗ | 27/01/17 |
Ba2BrN | ICSD | 262056 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9748 | 0.975 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaGa | ICSD | 619272 | Cmcm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.934 | (0;110) | ✗ | 27/01/17 |
ZrIr | ICSD | 657956 | P2_1/m (11) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.743 | (1;001) | ✗ | 27/01/17 |
LiVS2 | COD | 1528269 | P-3m1 (164) | ✔ | 4 | 28 | 2 | 0.0 | 0.000 | 0.446 | (0;000) | ✗ | 27/01/17 |
LiYS2 | ICSD | 44957 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.6757 | 2.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
IrW | COD | 1523681 | Pmma (51) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.984 | (0;101) | ✗ | 27/01/17 |
SnIr | COD | 1522618 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.902 | (0;000) | ✗ | 27/01/17 |
NbInS2 | ICSD | 74702 | P-6m2 (187) | ✗ | 4 | 38 | 2 | 0.0 | 0.014 | 0.412 | (0;000) | ✔ | 06/10/16 |
NbInS2 | ICSD | 640054 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.030 | 0.270 | (0;000) | ✔ | 06/10/16 |
InAg3 | COD | 1510013 | Pm-3m (221) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.850 | (0;111) | ✗ | 05/01/17 |
TeIr | COD | 9008897 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
SbIr | ICSD | 44481 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.006 | 0.557 | (1;000) | ✗ | 27/01/17 |
IrPb | COD | 1522693 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.897 | (1;000) | ✗ | 27/01/17 |
VIr3 | COD | 1523511 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.005 | 0.606 | (0;111) | ✗ | 27/01/17 |
MoIr | COD | 1523679 | Pmma (51) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.817 | (0;001) | ✗ | 27/01/17 |
IBr | ICSD | 22120 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.2772 | 1.287 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaIr3 | COD | 1523510 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.038 | 0.460 | (1;000) | ✗ | 27/01/17 |
VIr | COD | 2310206 | Cmmm (65) | ✔ | 4 | 60 | 3 | 0.0 | 0.017 | 0.606 | (0;111) | ✗ | 27/01/17 |
K3Sb | ICSD | 44677 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.6121 | 0.612 | 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 |
TaInS2 | ICSD | 640378 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.012 | 0.418 | (1;100) | ✔ | 06/10/16 |
MgZnAg2 | COD | 1509668 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.011 | 0.851 | (0;000) | ✗ | 05/01/17 |
Sc3In | ICSD | 59523 | Pm-3m (221) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.873 | (1;111) | ✗ | 27/01/17 |
TlInS2 | ICSD | 25354 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.5619 | 1.248 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaInSe2 | ICSD | 640520 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.006 | 0.346 | (0;000) | ✔ | 06/10/16 |
YInPd2 | ICSD | 59484 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.000 | 0.654 | (0;000) | ✗ | 27/01/17 |
ScInPt2 | ICSD | 59502 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.654 | (0;000) | ✗ | 27/01/17 |
YInAg2 | COD | 1509655 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.001 | 0.380 | (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 |
NbIr3 | COD | 1523509 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.089 | 0.537 | (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 |
ScAl3 | ICSD | 107878 | Pm-3m (221) | ✔ | 4 | 20 | 3 | 0.0 | 0.000 | 0.463 | (0;111) | ✗ | 05/01/17 |
InAgSe2 | ICSD | 604401 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.0 | 0.022 | 0.399 | (0;000) | ✗ | 05/01/17 |
NaIn | ICSD | 640032 | Fd-3m (227) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.390 | (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 |
CaSn | ICSD | 55220 | Ccmm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.013 | 0.316 | (1;000) | ✗ | 06/10/16 |
LiAg | ICSD | 247145 | I4_1/amd (141) | ✔ | 4 | 28 | 3 | 0.0 | 0.025 | 0.646 | (1;111) | ✗ | 05/01/17 |
LaS | ICSD | 69581 | Cm2e (39) | ✗ | 4 | 18 | 2 | 0.0 | 0.001 | 0.772 | (0;010) | ✔ | 06/10/16 |
CaCl | COD | 9008985 | P4/nmm (129) | ✔ | 4 | 34 | 1 | 0.0 | 0.000 | 0.749 | (1;001) | ✗ | 27/01/17 |
CaZn | ICSD | 184361 | Cmcm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.012 | 0.543 | (1;110) | ✗ | 27/01/17 |
ScAgSe2 | ICSD | 155115 | P-3m1 (164) | ✔ | 4 | 34 | 3 | 0.4242 | 1.112 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiI | ICSD | 414242 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 4.1367 | 4.137 | 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 |
Ca3Hg | ICSD | 58903 | Pm-3m (221) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.492 | (1;000) | ✗ | 27/01/17 |
NaInSe2 | ICSD | 25558 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.0445 | 1.212 | 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 |
LiRh3 | ICSD | 642290 | Im2m (44) | ✗ | 4 | 54 | 3 | 0.0 | 0.001 | 0.690 | (0;101) | ✔ | 06/10/16 |
ScInAg2 | COD | 1509650 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.045 | 0.381 | (1;000) | ✗ | 05/01/17 |
AgSbTe2 | COD | 4111784 | R-3m (166) | ✔ | 4 | 28 | 3 | 0.0 | 0.671 | 0.213 | (0;000) | ✗ | 05/01/17 |
LiInSe2 | ICSD | 56531 | R-3m (166) | ✔ | 4 | 28 | 2 | 0.1689 | 0.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2InIr | ICSD | 639824 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.005 | 0.483 | (1;000) | ✗ | 27/01/17 |
MnInNi2 | ICSD | 639954 | Fm-3m (225) | ✔ | 4 | 48 | 3 | 0.0 | 0.000 | 0.630 | (0;000) | ✗ | 27/01/17 |
ScInNi2 | ICSD | 59446 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.665 | (0;000) | ✗ | 27/01/17 |
ScIr3 | ICSD | 108568 | Pm-3m (221) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.623 | (0;000) | ✗ | 27/01/17 |
KNa2Sb | ICSD | 44332 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.5785 | 0.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoN | ICSD | 106926 | Imma (74) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.816 | (1;110) | ✗ | 27/01/17 |
ZrH | ICSD | 56197 | P4_2/mmc (131) | ✔ | 4 | 10 | 3 | 0.0 | 0.000 | 0.547 | (0;101) | ✗ | 27/01/17 |
TiH | ICSD | 56181 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.468 | (0;011) | ✗ | 27/01/17 |
LiIn2Ir | COD | 1527270 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.003 | 0.869 | (1;000) | ✗ | 27/01/17 |
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 |
InCl | ICSD | 2430 | Cmcm (63) | ✔ | 4 | 40 | 1 | 1.443 | 1.529 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CdGe | ICSD | 52803 | Fm-3m (225) | ✔ | 4 | 22 | 3 | 0.0 | 0.000 | 0.515 | (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 |
TiAg | ICSD | 605934 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.673 | (0;001) | ✗ | 05/01/17 |
MgCdAg2 | COD | 1509770 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.852 | (0;000) | ✗ | 05/01/17 |
Ca3Pb | ICSD | 58921 | Pm-3m (221) | ✔ | 4 | 44 | 1 | 0.0 | 0.000 | 0.240 | (1;111) | ✗ | 27/01/17 |
CdCN2 | ICSD | 95265 | R3m (160) | ✗ | 4 | 26 | 3 | 2.021 | 2.021 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlCl | ICSD | 109143 | Cmcm (63) | ✔ | 4 | 40 | 1 | 2.1142 | 2.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuBr | ICSD | 30091 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.4343 | 0.434 | 0.000 | (0;000) | ✔ | 27/01/17 |
HgTe | ICSD | 56658 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.062 | 0.439 | (0;110) | ✗ | 27/01/17 |
CdGeP2 | ICSD | 52804 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 0.0 | 0.019 | 0.517 | (1;000) | ✗ | 27/01/17 |
Ti3Hg | COD | 1522698 | Pm-3m (221) | ✔ | 4 | 48 | 3 | 0.0 | 0.014 | 0.459 | (1;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 |
ScIn3 | ICSD | 59524 | Pm-3m (221) | ✔ | 4 | 50 | 3 | 0.0 | 0.030 | 0.389 | (0;111) | ✗ | 27/01/17 |
AuSe | COD | 1510296 | P6_3/mmc (194) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.857 | (0;000) | ✗ | 05/01/17 |
SiH | ICSD | 41478 | P-3m1 (164) | ✔ | 4 | 10 | 2 | 2.0532 | 2.092 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnAu | COD | 1510301 | P6_3/mmc (194) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.750 | (1;000) | ✗ | 05/01/17 |
AuSe | COD | 1510294 | C2/m (12) | ✔ | 4 | 34 | 2 | 0.0 | 0.719 | 0.042 | (0;000) | ✗ | 05/01/17 |
TiAu | ICSD | 612415 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.844 | (1;001) | ✗ | 05/01/17 |
HgPt3 | ICSD | 24930 | Cmmm (65) | ✔ | 4 | 42 | 3 | 0.0 | 0.014 | 0.828 | (1;111) | ✗ | 27/01/17 |
Sb3Au | COD | 1510290 | Im-3m (229) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.613 | (1;000) | ✗ | 05/01/17 |
HgPt3 | ICSD | 639147 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.463 | (1;000) | ✗ | 27/01/17 |