▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ScB2 | ICSD | 106903 | Fd-3m (227) | ✔ | 6 | 34 | 3 | 0.0 | 0.000 | 0.545 | (0;000) | ✗ | 05/01/17 |
CsCdAuS2 | ICSD | 85581 | Cmme (67) | ✔ | 10 | 88 | 2 | 2.1236 | 2.236 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ta3B2 | ICSD | 615504 | P4/mbm (127) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.888 | (0;000) | ✗ | 05/01/17 |
AuCl2 | COD | 4027825 | P-1 (2) | ✔ | 12 | 100 | 1 | 0.7863 | 1.209 | 0.000 | (0;000) | ✗ | 30/01/17 |
AuCl3 | COD | 2310075 | P2_1/c (14) | ✔ | 16 | 128 | 1 | 1.314 | 1.408 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsAuCl4 | ICSD | 423233 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.8939 | 1.944 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbAuCl4 | COD | 8103425 | C2/c (15) | ✔ | 12 | 96 | 1 | 2.0009 | 2.007 | 0.000 | (0;000) | ✗ | 30/01/17 |
TlAuCl4 | COD | 2018865 | C2/c (15) | ✔ | 12 | 104 | 1 | 1.7994 | 1.820 | 0.000 | (0;000) | ✗ | 30/01/17 |
TeAuCl7 | COD | 7209382 | P-1 (2) | ✔ | 18 | 132 | 1 | 1.6215 | 1.787 | 0.000 | (0;000) | ✗ | 30/01/17 |
AuClO | COD | 2105387 | R-3 (148) | ✔ | 18 | 144 | 3 | 1.1439 | 1.248 | 0.000 | (0;000) | ✗ | 30/01/17 |
NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs3AuO | COD | 1510109 | P6_3/mmc (194) | ✔ | 10 | 88 | 1 | 1.5275 | 1.528 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaIF | COD | 9011175 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 3.635 | 3.635 | 0.000 | (0;000) | ✗ | 30/01/17 |
MgI2 | COD | 9009108 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 3.1114 | 3.286 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na4I2O | COD | 9007749 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 2.299 | 2.299 | 0.000 | (0;000) | ✗ | 30/01/17 |
NiI2 | COD | 9009133 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.071 | 0.554 | (0;000) | ✗ | 30/01/17 |
PbI2 | COD | 1011333 | P-3m1 (164) | ✔ | 3 | 28 | 2 | 1.1015 | 2.099 | 0.000 | (0;000) | ✗ | 30/01/17 |
PbI2 | COD | 9009142 | R-3m (166) | ✔ | 3 | 28 | 2 | 1.436 | 1.436 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnI2 | ICSD | 48016 | P6/mmm (191) | ✔ | 3 | 26 | 3 | 0.0 | 0.089 | 0.339 | (0;000) | ✗ | 30/01/17 |
ZnI2 | COD | 9009122 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 1.4754 | 1.561 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnI2 | COD | 9009137 | R-3m (166) | ✔ | 3 | 26 | 2 | 1.1064 | 1.334 | 0.000 | (0;000) | ✗ | 30/01/17 |
InI | COD | 9008983 | Cmcm (63) | ✔ | 4 | 40 | 3 | 1.1696 | 1.170 | 0.000 | (0;000) | ✗ | 30/01/17 |
K3IO | ICSD | 36512 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 1.1333 | 1.133 | 0.000 | (0;000) | ✗ | 30/01/17 |
KI | ICSD | 61661 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.6931 | 3.693 | 0.000 | (0;000) | ✗ | 30/01/17 |
KI | COD | 9009735 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.6596 | 3.660 | 0.000 | (0;000) | ✗ | 30/01/17 |
KI | ICSD | 61661 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.6931 | 3.693 | 0.000 | (0;000) | ✗ | 30/01/17 |
LiI | COD | 9008669 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.9399 | 3.940 | 0.000 | (0;000) | ✗ | 30/01/17 |
LiI | ICSD | 44781 | P6_3/mmc (194) | ✔ | 4 | 20 | 1 | 3.3576 | 3.358 | 0.000 | (0;000) | ✗ | 30/01/17 |
FeSe2 | ICSD | 25680 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.2853 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cd(GaS2)2 | ICSD | 619878 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.2573 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
V3B2 | COD | 1510850 | P4/mbm (127) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.899 | (0;000) | ✗ | 05/01/17 |
NaIO4 | COD | 2106357 | I4_1/a (88) | ✔ | 12 | 80 | 1 | 2.3682 | 2.392 | 0.000 | (0;000) | ✗ | 30/01/17 |
NaPb2IO6 | ICSD | 427115 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.155 | (0;000) | ✗ | 30/01/17 |
NaI | COD | 9008681 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.3039 | 3.304 | 0.000 | (0;000) | ✗ | 30/01/17 |
NaI | COD | 9015919 | I4_1/amd (141) | ✔ | 4 | 32 | 1 | 1.0237 | 1.101 | 0.000 | (0;000) | ✗ | 30/01/17 |
IN | COD | 9014835 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.034 | 0.639 | (0;000) | ✗ | 30/01/17 |
Cd(GaSe2)2 | ICSD | 163949 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.251 | 1.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiCa4(BN2)3 | ICSD | 400339 | Im-3m (229) | ✔ | 14 | 82 | 1 | 2.2339 | 3.025 | 0.000 | (0;000) | ✗ | 05/01/17 |
GeS | ICSD | 637785 | Pmnb (62) | ✔ | 8 | 40 | 2 | 0.8942 | 1.214 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2IN | COD | 2215222 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.861 | 1.861 | 0.000 | (0;000) | ✗ | 30/01/17 |
TiIN | ICSD | 27394 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.0301 | 0.030 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZrIN | ICSD | 190381 | R-3m (166) | ✔ | 6 | 32 | 2 | 0.4372 | 1.429 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZrIN | ICSD | 36119 | Pmmn (59) | ✔ | 6 | 32 | 2 | 1.1231 | 1.123 | 0.000 | (0;000) | ✗ | 30/01/17 |
I | COD | 1010091 | Cmce (64) | ✔ | 4 | 28 | 1 | 0.9685 | 1.149 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cd(GaSe2)2 | ICSD | 184996 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.3585 | 1.359 | 0.000 | (0;000) | ✗ | 06/10/16 |
I | COD | 1512512 | Cmce (64) | ✔ | 4 | 28 | 1 | 0.7424 | 0.768 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbI | COD | 9009738 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.5916 | 3.592 | 0.000 | (0;000) | ✗ | 30/01/17 |
TlI | ICSD | 60491 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 1.5987 | 1.599 | 0.000 | (0;000) | ✗ | 30/01/17 |
TlI | COD | 9008795 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 0.7515 | 1.593 | 0.000 | (0;000) | ✗ | 30/01/17 |
TlI | COD | 9008981 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.4934 | 1.671 | 0.000 | (0;000) | ✗ | 30/01/17 |