▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hf2Ni2Sn | ICSD | 407546 | P4_2/mnm (136) | ✔ | 20 | 232 | 3 | 0.0 | 0.014 | 0.422 | (0;000) | ✗ | 02/02/17 |
FeBr2 | COD | 9009102 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.3824 | 0.406 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hf2Te | ICSD | 83965 | C2/m (12) | ✔ | 12 | 120 | 3 | 0.0 | 0.020 | 0.842 | (0;000) | ✗ | 02/02/17 |
Ge2N2O | ICSD | 200848 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.5818 | 2.896 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hf3Si3Ni2 | COD | 1531009 | Cmcm (63) | ✔ | 16 | 136 | 3 | 0.0 | 0.010 | 0.770 | (0;000) | ✗ | 02/02/17 |
K4Br2O | COD | 9007797 | Fmmm (69) | ✔ | 7 | 56 | 1 | 0.7286 | 0.729 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li5Br2N | ICSD | 78836 | Immm (71) | ✔ | 8 | 34 | 1 | 2.2057 | 2.383 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2MgCl4 | ICSD | 4035 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 4.9192 | 5.142 | 0.000 | (0;000) | ✗ | 27/01/17 |
WN2 | ICSD | 290433 | P-6m2 (187) | ✗ | 3 | 24 | 3 | 0.8125 | 1.046 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge2N2O | ICSD | 200849 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.2545 | 2.593 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hf5NiSb3 | ICSD | 638717 | P6_3/mcm (193) | ✔ | 18 | 170 | 3 | 0.0 | 0.000 | 0.690 | (0;000) | ✗ | 02/02/17 |
MgBr2 | COD | 9009107 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 4.1115 | 4.112 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na4Br2O | ICSD | 67283 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 2.068 | 2.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ge2N2O | ICSD | 34793 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 3.0353 | 3.257 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hf5Sn4 | ICSD | 107313 | P6_3/mcm (193) | ✔ | 18 | 232 | 3 | 0.0 | 0.005 | 0.644 | (0;000) | ✗ | 02/02/17 |
HfI3 | ICSD | 23947 | P6_3/mcm (193) | ✔ | 8 | 66 | 1 | 0.0 | 0.000 | 0.633 | (0;000) | ✗ | 02/02/17 |
NiBr2 | COD | 9008013 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.031 | 0.538 | (0;000) | ✗ | 27/01/17 |
TiBr2 | ICSD | 26078 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.005 | 0.539 | (0;000) | ✗ | 27/01/17 |
SrHfO3 | COD | 1521390 | Pnma (62) | ✔ | 20 | 160 | 3 | 4.2339 | 4.290 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfPbS3 | ICSD | 65668 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.2292 | 1.329 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTl2PbS4 | ICSD | 237509 | C2/c (15) | ✔ | 16 | 152 | 3 | 0.5954 | 1.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTl2PbSe4 | ICSD | 237510 | C2/c (15) | ✔ | 16 | 152 | 3 | 0.0 | 1.220 | 0.059 | (0;000) | ✗ | 02/02/17 |
HfPt3 | COD | 1523507 | P6_3/mmc (194) | ✔ | 16 | 168 | 3 | 0.0 | 0.024 | 0.300 | (0;000) | ✗ | 02/02/17 |
HfRe2 | ICSD | 150512 | P6_3/mmc (194) | ✔ | 12 | 168 | 3 | 0.0 | 0.000 | 0.801 | (0;000) | ✗ | 02/02/17 |
HfSnS3 | ICSD | 65667 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.0307 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrHfS3 | ICSD | 638863 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.4451 | 1.445 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdS | ICSD | 60629 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.2121 | 1.212 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfTl2Se3 | COD | 7019864 | P2_1/m (11) | ✔ | 12 | 112 | 3 | 0.4025 | 0.553 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTe3 | ICSD | 638962 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.062 | 0.374 | (0;000) | ✗ | 02/02/17 |
NaGe2N3 | ICSD | 47100 | Cmc2_1 (36) | ✗ | 12 | 64 | 3 | 2.7533 | 3.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hg2IO | COD | 9015189 | C2/c (15) | ✔ | 16 | 148 | 3 | 0.9124 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2MoO4 | ICSD | 90084 | C2/c (15) | ✔ | 14 | 124 | 3 | 1.8857 | 2.248 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3Hg2 | COD | 2209338 | P4_2/mnm (136) | ✔ | 20 | 204 | 3 | 0.0 | 0.002 | 0.510 | (0;000) | ✗ | 02/02/17 |
Na3Hg2 | COD | 2310237 | P4_2/mnm (136) | ✔ | 20 | 204 | 3 | 0.0 | 0.013 | 0.574 | (0;000) | ✗ | 02/02/17 |
Hg2SeO4 | COD | 1527304 | P2/c (13) | ✔ | 14 | 108 | 3 | 0.3164 | 0.640 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2SO4 | COD | 1527303 | P2/c (13) | ✔ | 14 | 108 | 3 | 0.0916 | 0.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnBr2 | COD | 9011540 | R-3m (166) | ✔ | 3 | 26 | 2 | 2.4418 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr3Hg2 | ICSD | 107371 | P4/mbm (127) | ✔ | 10 | 108 | 1 | 0.0 | 0.024 | 0.727 | (0;000) | ✗ | 02/02/17 |
CsCaBr3 | ICSD | 77242 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 4.484 | 4.646 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl2Hg3S4 | COD | 4000817 | C2/c (15) | ✔ | 18 | 172 | 3 | 1.5047 | 1.601 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Hg3Se4 | COD | 4000818 | C2/c (15) | ✔ | 18 | 172 | 3 | 1.0186 | 1.019 | 0.000 | (0;000) | ✗ | 02/02/17 |
RuN2 | ICSD | 240754 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.0 | 0.037 | 0.341 | (0;000) | ✗ | 06/10/16 |
SrHg3 | ICSD | 247140 | Pnma (62) | ✔ | 16 | 184 | 3 | 0.0 | 0.008 | 0.411 | (0;000) | ✗ | 02/02/17 |
CsCdBr3 | COD | 1010122 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.8231 | 1.294 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgCl | ICSD | 56541 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.6845 | 2.523 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2Hg6O7 | COD | 9001301 | C2/m (12) | ✔ | 15 | 122 | 3 | 1.5831 | 1.837 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Hg7 | ICSD | 107483 | P-3m1 (164) | ✔ | 9 | 102 | 3 | 0.0 | 0.003 | 0.699 | (0;000) | ✗ | 02/02/17 |
HgI2 | COD | 9014434 | P4_2/nmc (137) | ✔ | 6 | 52 | 2 | 0.8955 | 0.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg | ICSD | 15902 | P2_1/c (14) | ✔ | 6 | 72 | 3 | 1.6952 | 1.722 | 0.000 | (0;000) | ✗ | 02/02/17 |
In2HgS4 | COD | 9012324 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.6681 | 0.867 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2HgS2 | ICSD | 74500 | Pbcm (57) | ✔ | 20 | 168 | 1 | 2.2608 | 2.261 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2HgS4 | ICSD | 20757 | C2/c (15) | ✔ | 14 | 108 | 1 | 0.0 | 0.000 | 0.573 | (0;000) | ✗ | 02/02/17 |
K4HgP2 | ICSD | 67263 | R-3m (166) | ✔ | 7 | 58 | 1 | 1.021 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2Pd | ICSD | 166275 | C2/c (15) | ✔ | 6 | 56 | 3 | 0.0 | 0.287 | 0.015 | (0;000) | ✔ | 27/01/17 |
CsSnBr3 | ICSD | 4071 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0133 | 0.013 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfSO | ICSD | 23327 | P2_13 (198) | ✗ | 12 | 96 | 3 | 2.7591 | 3.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li6Br3N | COD | 1528848 | Fm-3m (225) | ✔ | 10 | 44 | 1 | 2.9029 | 3.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgN3 | ICSD | 426345 | P2_1/c (14) | ✔ | 16 | 108 | 3 | 2.4188 | 2.423 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaHg | COD | 2310235 | Cmcm (63) | ✔ | 8 | 84 | 3 | 0.0 | 0.014 | 0.562 | (0;000) | ✗ | 02/02/17 |
HgNO2 | ICSD | 60055 | P2_1/c (14) | ✔ | 16 | 116 | 3 | 2.1969 | 2.197 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgSeO3 | ICSD | 412547 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.5801 | 2.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgSeO3 | ICSD | 412548 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.3972 | 2.828 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgSeO3 | COD | 2003568 | Pnma (62) | ✔ | 20 | 144 | 3 | 2.4044 | 2.476 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgTeO3 | ICSD | 61673 | P-1 (2) | ✔ | 20 | 144 | 3 | 2.3102 | 2.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgO | ICSD | 32561 | P-1 (2) | ✔ | 16 | 144 | 3 | 0.8413 | 1.143 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgPS3 | ICSD | 2564 | P-1 (2) | ✔ | 10 | 70 | 2 | 1.7638 | 1.890 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgPSe3 | ICSD | 639132 | C2/c (15) | ✔ | 20 | 140 | 2 | 1.082 | 1.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2FeBr4 | ICSD | 82199 | Cmmm (65) | ✔ | 7 | 42 | 2 | 0.4178 | 0.418 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr3Hg | ICSD | 639226 | Pnma (62) | ✔ | 16 | 168 | 2 | 0.0 | 0.010 | 0.233 | (0;000) | ✗ | 02/02/17 |
AgI | ICSD | 161579 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1056 | 1.107 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2HIO | ICSD | 74930 | Pnma (62) | ✔ | 20 | 80 | 1 | 4.1333 | 4.133 | 0.000 | (0;000) | ✗ | 02/02/17 |
HPb2IO2 | ICSD | 192170 | C2/m (12) | ✔ | 12 | 96 | 3 | 1.0933 | 1.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
HPbIO | ICSD | 192169 | Pnma (62) | ✔ | 16 | 112 | 3 | 2.3146 | 2.398 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li3TeHO4 | ICSD | 38036 | P2_1/m (11) | ✔ | 18 | 80 | 1 | 3.6746 | 3.978 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbHSO2 | ICSD | 425888 | C2/m (12) | ✔ | 20 | 112 | 1 | 1.7316 | 1.779 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y5Si3H | ICSD | 638464 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.002 | 0.618 | (0;000) | ✗ | 02/02/17 |
Y6NiI10 | COD | 2239531 | P-1 (2) | ✔ | 17 | 146 | 3 | 0.3842 | 0.497 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y6OsI10 | ICSD | 74649 | P-1 (2) | ✔ | 17 | 152 | 3 | 0.0635 | 0.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y6PtI10 | ICSD | 424468 | P-1 (2) | ✔ | 17 | 146 | 3 | 0.5657 | 0.624 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y6RuI10 | ICSD | 74645 | P-1 (2) | ✔ | 17 | 152 | 3 | 0.1254 | 0.157 | 0.000 | (0;000) | ✗ | 02/02/17 |
S(IN)2 | ICSD | 72363 | P-1 (2) | ✔ | 20 | 120 | 2 | 1.0885 | 1.190 | 0.000 | (0;000) | ✗ | 02/02/17 |
S(IO3)2 | ICSD | 6220 | C2/c (15) | ✔ | 18 | 112 | 2 | 1.8407 | 1.938 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2I2O | COD | 8102957 | Ibam (72) | ✔ | 10 | 80 | 1 | 3.1001 | 3.225 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaI2O | COD | 2004011 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.7657 | 0.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbI2 | ICSD | 108914 | R-3m (166) | ✔ | 6 | 56 | 1 | 1.4435 | 1.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbI2 | COD | 9009143 | R-3m (166) | ✔ | 6 | 56 | 2 | 1.4443 | 1.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdI2 | ICSD | 25120 | P2_1/c (14) | ✔ | 12 | 128 | 2 | 0.7254 | 0.743 | 0.000 | (0;000) | ✗ | 02/02/17 |
TePdI2 | ICSD | 409062 | P-1 (2) | ✔ | 8 | 76 | 2 | 0.59 | 0.606 | 0.000 | (0;000) | ✗ | 02/02/17 |
PI2 | COD | 2004493 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.551 | 1.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
PtI2 | ICSD | 60760 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 1.0407 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrI2 | ICSD | 203137 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.5183 | 3.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrI2 | ICSD | 26418 | P2_1/m (11) | ✔ | 12 | 72 | 2 | 0.2968 | 0.407 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrI2 | ICSD | 35145 | R-3 (148) | ✔ | 18 | 108 | 3 | 0.0 | 0.070 | 0.147 | (0;000) | ✗ | 02/02/17 |
Te6IrI3 | ICSD | 423670 | R-3c (167) | ✔ | 20 | 148 | 3 | 0.6895 | 0.711 | 0.000 | (0;000) | ✗ | 02/02/17 |
InI3 | ICSD | 23136 | P2_1/c (14) | ✔ | 16 | 136 | 1 | 1.996 | 1.996 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaTl | ICSD | 261793 | Cmcm (63) | ✔ | 8 | 88 | 3 | 0.0 | 0.040 | 0.217 | (0;000) | ✗ | 06/10/16 |
NbI3 | ICSD | 109145 | P6_3/mcm (193) | ✔ | 8 | 68 | 1 | 0.0 | 0.006 | 0.336 | (0;000) | ✗ | 02/02/17 |
NbSeI3 | ICSD | 410743 | C2/c (15) | ✔ | 20 | 160 | 2 | 0.5739 | 0.580 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbTeI3 | ICSD | 35377 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.3895 | 0.477 | 0.000 | (0;000) | ✗ | 02/02/17 |
I3N | COD | 9014796 | Pnma (62) | ✔ | 16 | 104 | 1 | 0.0 | 0.005 | 0.530 | (0;000) | ✗ | 02/02/17 |