▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
H4BrN | ICSD | 27724 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.0741 | 3.074 | 0.000 | (0;000) | ✗ | 27/01/17 |
PH4Br | ICSD | 23691 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.9308 | 4.105 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgSO4 | ICSD | 100316 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 1.6049 | 2.007 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfBrN | ICSD | 190383 | R-3m (166) | ✔ | 6 | 48 | 2 | 1.8563 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr2InPd2 | ICSD | 404888 | P4_2/mnm (136) | ✔ | 20 | 228 | 3 | 0.0 | 0.004 | 0.549 | (0;000) | ✗ | 02/02/17 |
HfBrN | COD | 1532008 | Pmmn (59) | ✔ | 6 | 48 | 2 | 2.226 | 2.226 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgSO4 | ICSD | 25773 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 1.51 | 2.097 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgBr | COD | 9014145 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.8884 | 2.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb3InS3 | ICSD | 23252 | C2/m (12) | ✔ | 14 | 116 | 1 | 2.4145 | 2.447 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbInTe2 | ICSD | 75346 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.9151 | 1.411 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlInS2 | ICSD | 600748 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.6757 | 0.676 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSbS3 | ICSD | 300207 | Pnma (62) | ✔ | 20 | 144 | 2 | 1.4119 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
HBr | COD | 1010385 | Fm-3m (225) | ✔ | 2 | 8 | 1 | 0.0 | 0.000 | 0.199 | (0;000) | ✗ | 27/01/17 |
TlInSe2 | ICSD | 640528 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.0 | 0.013 | 0.035 | (0;000) | ✗ | 02/02/17 |
TlInSe2 | COD | 1527852 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.3952 | 0.395 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdSe | ICSD | 180931 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3656 | 0.366 | 0.000 | (0;000) | ✔ | 06/10/16 |
InSiTe3 | ICSD | 66356 | P-31m (162) | ✔ | 10 | 70 | 2 | 0.2799 | 0.602 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlInTe2 | COD | 1527853 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.3005 | 0.382 | 0.000 | (0;000) | ✗ | 02/02/17 |
InTe | ICSD | 169430 | I4/mcm (140) | ✔ | 8 | 76 | 3 | 0.0 | 0.029 | 0.057 | (0;000) | ✗ | 02/02/17 |
Zn2IN | ICSD | 425735 | Pnma (62) | ✔ | 16 | 144 | 3 | 1.6574 | 1.693 | 0.000 | (0;000) | ✗ | 02/02/17 |
IO3 | ICSD | 182673 | P-1 (2) | ✔ | 16 | 100 | 2 | 1.7136 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdSe | ICSD | 415786 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5591 | 0.559 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbIO4 | COD | 1521183 | I4_1/a (88) | ✔ | 12 | 80 | 1 | 2.9615 | 2.980 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlIO4 | ICSD | 52342 | I4_1/a (88) | ✔ | 12 | 88 | 1 | 1.1834 | 1.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgSO4 | ICSD | 28402 | Pc (7) | ✗ | 12 | 84 | 3 | 0.9664 | 1.331 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScIO | ICSD | 419335 | C2/m (12) | ✔ | 12 | 96 | 2 | 1.8352 | 1.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrHBrO | ICSD | 407720 | C2/m (12) | ✔ | 8 | 48 | 1 | 4.3807 | 4.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ir2S3 | ICSD | 640948 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.8351 | 0.924 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrHBr | COD | 9009182 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.9561 | 3.979 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgSO4 | ICSD | 31870 | Pnm2_1 (31) | ✗ | 12 | 84 | 3 | 1.2801 | 1.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
InBr | COD | 9008982 | Cmcm (63) | ✔ | 4 | 40 | 3 | 1.3219 | 1.469 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y5Ir3 | ICSD | 641185 | P6_3/mcm (193) | ✔ | 16 | 212 | 3 | 0.0 | 0.002 | 0.625 | (0;000) | ✗ | 02/02/17 |
YIr3 | ICSD | 641184 | R-3m (166) | ✔ | 12 | 186 | 3 | 0.0 | 0.002 | 0.599 | (0;000) | ✗ | 02/02/17 |
InBrO | ICSD | 24059 | Pmmn (59) | ✔ | 6 | 52 | 2 | 2.2656 | 2.325 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbS | ICSD | 183243 | R3m (160) | ✗ | 2 | 20 | 2 | 0.9607 | 0.966 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiSn4Ir | COD | 1529009 | I4/mcm (140) | ✔ | 12 | 152 | 3 | 0.0 | 0.020 | 0.279 | (0;000) | ✗ | 02/02/17 |
Sr2ScIrO6 | ICSD | 88152 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 0.0 | 0.241 | 0.069 | (0;000) | ✗ | 02/02/17 |
Sr2YIrO6 | ICSD | 88154 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 0.0 | 0.013 | 0.129 | (0;000) | ✗ | 02/02/17 |
P3Ir | ICSD | 23713 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.1726 | 0.481 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb2Ir | ICSD | 42620 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5983 | 0.849 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb3Ir | COD | 2310426 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.0978 | 0.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgSeO4 | ICSD | 412403 | Pnm2_1 (31) | ✗ | 12 | 84 | 3 | 1.0293 | 1.345 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sn4Ir | ICSD | 641053 | Ccce (68) | ✔ | 10 | 146 | 3 | 0.0 | 0.000 | 0.654 | (0;000) | ✗ | 02/02/17 |
K3BrO | ICSD | 33920 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.9272 | 0.927 | 0.000 | (0;000) | ✗ | 27/01/17 |
KBr | COD | 9009734 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.2926 | 4.293 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiS2 | ICSD | 169574 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.004 | 0.793 | (0;000) | ✗ | 06/10/16 |
Li3BrO | ICSD | 67265 | Pm-3m (221) | ✔ | 5 | 22 | 1 | 4.0589 | 4.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbSeI | COD | 1008204 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.2091 | 1.322 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbTeI | COD | 1008205 | C2/m (12) | ✔ | 6 | 36 | 2 | 0.5672 | 0.849 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbSI | ICSD | 28305 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.329 | 1.450 | 0.000 | (0;000) | ✗ | 02/02/17 |