▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CsO3 | ICSD | 33847 | P2_1/c (14) | ✔ | 16 | 108 | 1 | 0.0 | 0.000 | 0.677 | (1;111) | ✗ | 02/02/17 |
LiH2N | ICSD | 237215 | Pnma (62) | ✔ | 16 | 40 | 3 | 4.5918 | 5.473 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca5Ag3 | COD | 1509954 | I4/mcm (140) | ✔ | 16 | 166 | 1 | 0.0 | 0.001 | 0.709 | (1;000) | ✗ | 16/03/17 |
Ag3SeNO3 | ICSD | 108857 | R3c (161) | ✗ | 16 | 124 | 3 | 0.6914 | 0.728 | 0.000 | (0;000) | ✗ | 16/03/17 |
CsSr2Ta3O10 | ICSD | 93677 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 1.927 | 2.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgHgSI | ICSD | 54796 | P2_12_12_1 (19) | ✗ | 16 | 144 | 3 | 1.4581 | 1.462 | 0.000 | (0;000) | ✗ | 16/03/17 |
Ag3PS4 | COD | 1510028 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 1.1228 | 1.123 | 0.000 | (0;000) | ✗ | 16/03/17 |
CsSr2Nb3O10 | ICSD | 93675 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 1.5644 | 1.938 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdHgSBr | ICSD | 185392 | Cmmm (65) | ✔ | 16 | 148 | 3 | 0.0 | 0.002 | 0.764 | (0;000) | ✗ | 02/02/17 |
CsSbS2 | COD | 1530125 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 1.8455 | 2.003 | 0.000 | (0;000) | ✗ | 02/02/17 |
PS | COD | 2106562 | C2/c (15) | ✔ | 16 | 88 | 1 | 1.9547 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
PPd3 | ICSD | 647918 | Pnma (62) | ✔ | 16 | 236 | 3 | 0.0 | 0.001 | 0.696 | (0;110) | ✗ | 02/02/17 |
BiBr | ICSD | 1560 | C2/m (12) | ✔ | 16 | 96 | 2 | 0.3125 | 0.313 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdGe2O5 | ICSD | 23039 | P-1 (2) | ✔ | 16 | 100 | 3 | 1.8665 | 2.017 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlAgO2 | COD | 1509215 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 0.784 | 0.922 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cs2AgAsS4 | ICSD | 55368 | P-1 (2) | ✔ | 16 | 116 | 1 | 1.6825 | 1.775 | 0.000 | (0;000) | ✗ | 16/03/17 |
BiBr3 | ICSD | 100293 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 2.1184 | 2.183 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbCO2 | ICSD | 163587 | Pbam (55) | ✔ | 16 | 100 | 1 | 3.1932 | 3.193 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdPd3O4 | COD | 1008076 | Pm-3n (223) | ✔ | 16 | 180 | 3 | 0.0 | 0.000 | 0.125 | (1;000) | ✗ | 27/01/17 |
YSiPt2 | ICSD | 649645 | Pnma (62) | ✔ | 16 | 140 | 3 | 0.0 | 0.003 | 0.435 | (0;101) | ✗ | 02/02/17 |
AgHgSBr | ICSD | 411773 | Pmma (51) | ✔ | 16 | 144 | 3 | 1.4346 | 1.667 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cd2GaAgS4 | COD | 2205826 | Pmn2_1 (31) | ✗ | 16 | 144 | 3 | 1.0918 | 1.092 | 0.000 | (0;000) | ✗ | 16/03/17 |
CsI2Br | ICSD | 23120 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.8017 | 1.820 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHgSeBr | ICSD | 411771 | Pmma (51) | ✔ | 16 | 144 | 3 | 0.8098 | 0.868 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NbAgS4 | ICSD | 84293 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.2864 | 2.392 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cs2NbAgSe4 | ICSD | 50464 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.8633 | 2.014 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cs2TaAgS4 | ICSD | 84296 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.5887 | 2.703 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cs2VAgS4 | ICSD | 50460 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.3991 | 1.578 | 0.000 | (0;000) | ✗ | 16/03/17 |
PPb | ICSD | 40162 | P2_1/c (14) | ✔ | 16 | 152 | 1 | 0.0 | 0.008 | 0.483 | (0;111) | ✗ | 02/02/17 |
BiF3 | ICSD | 1269 | Pbnm (62) | ✔ | 16 | 104 | 3 | 3.7081 | 3.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbCoTe2 | COD | 1005003 | Cmce (64) | ✔ | 16 | 168 | 2 | 0.0 | 0.004 | 0.563 | (0;000) | ✗ | 02/02/17 |
AgHgSI | ICSD | 411772 | Pmma (51) | ✔ | 16 | 144 | 3 | 1.2963 | 1.357 | 0.000 | (0;000) | ✗ | 16/03/17 |
CuBr | COD | 9013934 | Pa3 (205) | ✔ | 16 | 144 | 3 | 0.2961 | 0.296 | 0.000 | (0;000) | ✗ | 02/02/17 |
InAgS2 | COD | 1509403 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.7495 | 0.751 | 0.000 | (0;000) | ✗ | 16/03/17 |
Ba3BPO3 | ICSD | 402017 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 1.4131 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgCu2TeO12 | COD | 9004452 | P-31m (162) | ✔ | 16 | 110 | 2 | 0.0 | 0.000 | 0.600 | (0;000) | ✗ | 02/02/17 |
CuSe2Br | ICSD | 410004 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.8528 | 0.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
ReB | COD | 1511506 | I4_1/amd (141) | ✔ | 16 | 144 | 3 | 0.0 | 0.003 | 0.609 | (1;111) | ✗ | 02/02/17 |
K2VAgS4 | ICSD | 66840 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.3061 | 1.419 | 0.000 | (0;000) | ✗ | 16/03/17 |
K2VAgSe4 | ICSD | 50461 | Fddd (70) | ✔ | 16 | 132 | 1 | 0.9678 | 1.066 | 0.000 | (0;000) | ✗ | 16/03/17 |
CuTe2Br | ICSD | 67252 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.3199 | 0.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaAg(NO2)2 | ICSD | 200377 | Fdd2 (43) | ✗ | 16 | 108 | 1 | 2.1271 | 2.230 | 0.000 | (0;000) | ✗ | 16/03/17 |
NaAg(NO2)2 | ICSD | 20926 | F222 (22) | ✗ | 16 | 108 | 3 | 2.0809 | 2.096 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cu3SbS4 | ICSD | 30368 | Fm-3m (225) | ✔ | 16 | 124 | 3 | 0.0 | 0.005 | 0.360 | (0;000) | ✗ | 02/02/17 |
BiI | ICSD | 1558 | C2/m (12) | ✔ | 16 | 96 | 1 | 0.1374 | 0.153 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2VAgS4 | ICSD | 66841 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.3525 | 1.493 | 0.000 | (0;000) | ✗ | 16/03/17 |
Rb2VAgSe4 | ICSD | 50462 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.0242 | 1.178 | 0.000 | (0;000) | ✗ | 16/03/17 |
ScAgSe2 | ICSD | 605797 | P2_12_12_1 (19) | ✗ | 16 | 136 | 3 | 0.6045 | 0.607 | 0.000 | (0;000) | ✗ | 16/03/17 |
YAgSe2 | ICSD | 605836 | P2_12_12_1 (19) | ✗ | 16 | 136 | 3 | 1.2636 | 1.264 | 0.000 | (0;000) | ✗ | 16/03/17 |
SrAg | COD | 2105352 | Pnma (62) | ✔ | 16 | 168 | 1 | 0.0 | 0.002 | 0.669 | (0;000) | ✗ | 16/03/17 |
LiH2N | ICSD | 237214 | Pbcm (57) | ✔ | 16 | 40 | 3 | 6.1225 | 6.972 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaH2N | ICSD | 34290 | Fddd (70) | ✔ | 16 | 64 | 1 | 1.8569 | 1.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaH2N | ICSD | 14007 | Fddd (70) | ✔ | 16 | 64 | 1 | 0.8969 | 0.913 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hf3Fe2Si3 | ICSD | 632268 | Cmcm (63) | ✔ | 16 | 128 | 3 | 0.0 | 0.006 | 0.706 | (1;110) | ✗ | 02/02/17 |
BiI3 | ICSD | 187607 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 0.6786 | 0.679 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe11Si5 | ICSD | 77369 | Pm-3m (221) | ✔ | 16 | 108 | 3 | 0.0 | 0.000 | 0.648 | (1;111) | ✗ | 27/01/17 |
Al3Pd5 | ICSD | 58118 | Pbam (55) | ✔ | 16 | 198 | 3 | 0.0 | 0.000 | 0.869 | (0;011) | ✗ | 16/03/17 |
Sr2GaCuSO3 | ICSD | 83630 | P4/nmm (129) | ✔ | 16 | 136 | 1 | 0.9682 | 0.968 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl5Se2Br | ICSD | 75960 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.1085 | 0.117 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2FeCuSO3 | ICSD | 84963 | P4/nmm (129) | ✔ | 16 | 126 | 1 | 0.0 | 0.000 | 0.752 | (1;001) | ✗ | 02/02/17 |
BiI3 | ICSD | 187611 | Pnam (62) | ✔ | 16 | 104 | 3 | 0.0 | 0.026 | 0.642 | (0;000) | ✗ | 06/10/16 |
TlPd3O4 | ICSD | 2275 | Fm-3m (225) | ✔ | 16 | 182 | 3 | 0.9298 | 0.930 | 0.000 | (0;000) | ✗ | 02/02/17 |
YO3 | ICSD | 23011 | Pnma (62) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.566 | (1;110) | ✗ | 02/02/17 |
HCO2 | COD | 4507991 | P2_1/c (14) | ✔ | 16 | 68 | 1 | 3.2517 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrPt3 | ICSD | 649888 | P6_3/mmc (194) | ✔ | 16 | 136 | 3 | 0.0 | 0.017 | 0.321 | (0;000) | ✗ | 02/02/17 |
Y5Pt3 | ICSD | 649842 | P6_3/mcm (193) | ✔ | 16 | 170 | 3 | 0.0 | 0.000 | 0.900 | (1;000) | ✗ | 02/02/17 |
InSb2Se4Br | ICSD | 159466 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.014 | 1.016 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlICl6 | ICSD | 26510 | P2_1 (4) | ✗ | 16 | 104 | 2 | 2.2808 | 2.316 | 0.000 | (0;000) | ✗ | 16/03/17 |
Zr5Pt3 | ICSD | 649889 | P6_3/mcm (193) | ✔ | 16 | 100 | 3 | 0.0 | 0.009 | 0.583 | (1;000) | ✗ | 02/02/17 |
InSb2S4Br | ICSD | 159467 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.4395 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe13Ge3 | ICSD | 150584 | Pm-3m (221) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.690 | (1;111) | ✗ | 27/01/17 |
HPbBrO | ICSD | 404573 | Pnma (62) | ✔ | 16 | 112 | 3 | 2.8066 | 2.835 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2NbCuS4 | ICSD | 402422 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.0085 | 2.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2NbCuSe4 | ICSD | 73324 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6201 | 1.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
BCl | COD | 9008995 | P4_2/nmc (137) | ✔ | 16 | 80 | 2 | 3.0503 | 3.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mn3Bi | ICSD | 58808 | R-3m (166) | ✔ | 16 | 200 | 3 | 4.8879 | 0.002 | 1.000 | (0;000) | ✗ | 06/10/16 |
Y3BrO4 | ICSD | 419384 | Cmcm (63) | ✔ | 16 | 128 | 3 | 4.3204 | 4.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoAgO2 | ICSD | 261608 | P6_3/mmc (194) | ✔ | 16 | 160 | 3 | 0.279 | 0.450 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuTe2I | ICSD | 67253 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.801 | 0.840 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnSiN2 | COD | 1531000 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.001 | 0.438 | ? | ✗ | 15/02/17 |
ReO3 | COD | 1523942 | Im3 (204) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.902 | (0;111) | ✗ | 02/02/17 |
Nb3CuS4 | ICSD | 628469 | P6_3/m (176) | ✔ | 16 | 148 | 3 | 0.0 | 0.000 | 0.701 | (0;000) | ✗ | 02/02/17 |
Tl5Te2Br | ICSD | 427679 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0633 | 0.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
LiAlSe2 | COD | 4321118 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.1395 | 3.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
K2VCuS4 | ICSD | 81414 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.2357 | 1.460 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCuPdSe5 | COD | 4313762 | P2_1/m (11) | ✔ | 16 | 136 | 1 | 1.0951 | 1.137 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2VCuSe4 | ICSD | 84303 | Fddd (70) | ✔ | 16 | 132 | 1 | 0.9604 | 1.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2TaCuSe4 | ICSD | 72427 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.9765 | 2.063 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiPd3 | ICSD | 58839 | Pmma (51) | ✔ | 16 | 276 | 3 | 0.0 | 0.017 | 0.741 | (0;100) | ✗ | 02/02/17 |
Sr2MnCuSO3 | ICSD | 91199 | P4/nmm (129) | ✔ | 16 | 140 | 1 | 0.0 | 0.003 | 0.963 | (0;001) | ✗ | 02/02/17 |
CuN3 | COD | 2310148 | I4_1/a (88) | ✔ | 16 | 104 | 3 | 1.8276 | 1.869 | 0.000 | (0;000) | ✗ | 02/02/17 |
KY2CuS4 | ICSD | 97557 | Cmcm (63) | ✔ | 16 | 132 | 3 | 0.986 | 1.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
SeBr | ICSD | 37017 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 1.7231 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2NbCuSe4 | ICSD | 84305 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6556 | 1.888 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgIO2 | COD | 5910025 | I4_1/a (88) | ✔ | 16 | 120 | 3 | 0.0 | 0.016 | 0.429 | (1;111) | ✗ | 16/03/17 |
Rb2NbCuS4 | ICSD | 84304 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.0266 | 2.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb3CuTe4 | ICSD | 628496 | P6_3/m (176) | ✔ | 16 | 148 | 3 | 0.0 | 0.001 | 0.667 | (0;000) | ✗ | 02/02/17 |
N2 | ICSD | 40936 | R-3c (167) | ✔ | 16 | 80 | 1 | 5.8672 | 5.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuSe2O5 | COD | 2211417 | C2/c (15) | ✔ | 16 | 106 | 2 | 0.0 | 0.001 | 0.263 | (1;011) | ✗ | 02/02/17 |