▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
KNaTe | ICSD | 67276 | Pnma (62) | ✔ | 12 | 96 | 1 | 1.7998 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO2 | ICSD | 86117 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.4941 | 2.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO3 | ICSD | 52376 | Pnma (62) | ✔ | 20 | 128 | 1 | 2.3104 | 2.310 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiS2 | ICSD | 169574 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.004 | 0.793 | (0;000) | ✗ | 06/10/16 |
KNO3 | ICSD | 85491 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.5677 | 3.595 | 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 |
KPO3 | ICSD | 26148 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.7829 | 4.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSbO3 | ICSD | 77333 | Fd-3m (227) | ✔ | 20 | 128 | 3 | 1.9306 | 2.142 | 0.000 | (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 |
SrHgPb | ICSD | 602710 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.004 | 0.416 | ? | ✗ | 06/10/16 |
Li3BrO | ICSD | 67265 | Pm-3m (221) | ✔ | 5 | 22 | 1 | 4.0589 | 4.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
K(OsO3)2 | ICSD | 419880 | P-1 (2) | ✔ | 18 | 154 | 3 | 0.0 | 0.089 | 0.241 | (1;110) | ✗ | 02/02/17 |
PbS | ICSD | 183245 | P-6m2 (187) | ✗ | 2 | 20 | 3 | 0.0 | 0.584 | 0.111 | (0;000) | ✔ | 06/10/16 |
NiSb2 | ICSD | 41728 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.107 | 0.514 | (1;000) | ✗ | 06/10/16 |
Hg2TeO3 | ICSD | 203064 | P2cm (28) | ✗ | 12 | 96 | 3 | 1.6381 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
KPS3 | ICSD | 33278 | Immm (71) | ✔ | 10 | 64 | 1 | 1.7043 | 1.718 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTiPS5 | ICSD | 82262 | C2/m (12) | ✔ | 16 | 112 | 1 | 1.1891 | 1.275 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTiPSe5 | ICSD | 81297 | C2/m (12) | ✔ | 16 | 112 | 2 | 0.7848 | 0.860 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPt2S3 | ICSD | 40062 | R-3m (166) | ✔ | 12 | 94 | 2 | 1.3757 | 1.377 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPt2Se3 | ICSD | 69438 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.768 | 0.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
KRbS | ICSD | 72326 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.3309 | 2.331 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSbS2 | ICSD | 641324 | C2/c (15) | ✔ | 8 | 52 | 1 | 1.4975 | 1.501 | 0.000 | (0;000) | ✗ | 02/02/17 |
KV5S8 | ICSD | 602318 | C2/m (12) | ✔ | 14 | 122 | 3 | 0.0 | 0.011 | 0.760 | (0;001) | ✗ | 02/02/17 |
K(SbSe2)2 | ICSD | 402886 | P-1 (2) | ✔ | 14 | 86 | 3 | 1.0916 | 1.375 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2P2S7 | ICSD | 2490 | C2 (5) | ✗ | 11 | 76 | 3 | 1.9144 | 2.191 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiNi | ICSD | 157606 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.011 | 0.650 | (0;100) | ✗ | 06/10/16 |
KV5Se8 | ICSD | 602325 | C2/m (12) | ✔ | 14 | 122 | 3 | 0.0 | 0.011 | 0.651 | (0;001) | ✗ | 02/02/17 |
KSn2 | ICSD | 190812 | P6_3/mmc (194) | ✔ | 12 | 148 | 3 | 0.0 | 0.001 | 0.735 | (0;000) | ✗ | 02/02/17 |
KTe | ICSD | 73174 | P6_3/mmc (194) | ✔ | 8 | 60 | 1 | 0.4835 | 0.484 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Li2SiO4 | ICSD | 61086 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1321 | 4.216 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTl | ICSD | 262071 | P6_3/mmc (194) | ✔ | 8 | 88 | 1 | 0.0 | 0.030 | 0.064 | (0;000) | ✗ | 02/02/17 |
Sn(HgSe2)2 | ICSD | 165096 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.0 | 0.026 | 0.011 | (1;000) | ✔ | 06/10/16 |
Li2Sn5 | ICSD | 26200 | P4/mbm (127) | ✔ | 14 | 152 | 3 | 0.0 | 0.007 | 0.963 | (0;000) | ✗ | 02/02/17 |
Sr3(LiSb)4 | ICSD | 25307 | Immm (71) | ✔ | 11 | 62 | 1 | 0.0 | 0.030 | 0.181 | (0;111) | ✗ | 02/02/17 |
Li5ReN4 | ICSD | 92467 | Pmmn (59) | ✔ | 20 | 100 | 1 | 2.0104 | 2.091 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiBrN | ICSD | 27395 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.1946 | 0.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrBrN | ICSD | 27393 | Pmmn (59) | ✔ | 6 | 32 | 2 | 1.224 | 1.224 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sn(HgSe2)2 | ICSD | 639205 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.0 | 0.045 | 0.179 | (1;000) | ✔ | 06/10/16 |
Li(MoSe)3 | ICSD | 604519 | P6_3/m (176) | ✔ | 14 | 126 | 1 | 0.0 | 0.000 | 0.338 | (0;000) | ✗ | 02/02/17 |
ZrBrN | ICSD | 51771 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.2522 | 1.887 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2LiReN4 | ICSD | 411454 | P2_1/m (11) | ✔ | 16 | 116 | 1 | 1.9125 | 1.944 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaLiV2O6 | ICSD | 20836 | C2/c (15) | ✔ | 20 | 148 | 1 | 3.095 | 3.183 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaLiV2O6 | ICSD | 30019 | C2/c (15) | ✔ | 20 | 148 | 1 | 2.7521 | 2.821 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaLiSe | ICSD | 67359 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.3789 | 2.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaLiTe | ICSD | 67274 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.9514 | 1.951 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgI | ICSD | 56557 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.3263 | 1.617 | 0.000 | (0;000) | ✔ | 06/10/16 |
BN | ICSD | 162874 | F-43m (216) | ✗ | 2 | 8 | 3 | 4.4968 | 8.945 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiVO3 | ICSD | 2899 | C2/c (15) | ✔ | 20 | 136 | 2 | 3.0371 | 3.197 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdTe | ICSD | 108237 | Pm2m (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.032 | 0.374 | (0;110) | ✔ | 06/10/16 |
PbS | ICSD | 183249 | Pbm2 (28) | ✗ | 8 | 80 | 2 | 0.8462 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiTi(SiO3)2 | ICSD | 96292 | C2/c (15) | ✔ | 20 | 118 | 3 | 0.0 | 0.000 | 0.950 | (0;011) | ✗ | 02/02/17 |
Sn(HgSe2)2 | ICSD | 95061 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.2537 | 0.254 | 0.000 | (0;000) | ✔ | 06/10/16 |
Rb3BrO | ICSD | 77196 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.4411 | 0.441 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbLiO | ICSD | 65170 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.4363 | 2.466 | 0.000 | (0;000) | ✗ | 02/02/17 |
KIO3 | ICSD | 247719 | R3 (146) | ✗ | 10 | 68 | 3 | 1.9552 | 1.956 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiSn4Rh | ICSD | 412251 | I4/mcm (140) | ✔ | 12 | 152 | 3 | 0.0 | 0.006 | 0.402 | (0;000) | ✗ | 02/02/17 |
LiSn4Ru | ICSD | 412250 | I4/mcm (140) | ✔ | 12 | 150 | 3 | 0.0 | 0.000 | 0.496 | (1;111) | ✗ | 02/02/17 |
ZrNi | ICSD | 105478 | Ccmm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.007 | 0.409 | (1;000) | ✗ | 06/10/16 |
Li(YSi)2 | ICSD | 8160 | P4/mbm (127) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.896 | (1;111) | ✗ | 02/02/17 |
LiSi | ICSD | 96509 | I4_1/a (88) | ✔ | 16 | 56 | 1 | 0.0 | 0.085 | 0.336 | (1;111) | ✗ | 02/02/17 |
KIO3 | ICSD | 28545 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.0 | 0.091 | 0.116 | (1;111) | ✗ | 30/01/17 |
Mg2Pb | ICSD | 642744 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.031 | 0.506 | (1;000) | ✗ | 02/02/17 |
SrMg2Pd | ICSD | 425493 | Cmcm (63) | ✔ | 8 | 96 | 1 | 0.0 | 0.006 | 0.519 | (1;000) | ✗ | 02/02/17 |
VBrO | ICSD | 27010 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.005 | 0.462 | (0;001) | ✗ | 27/01/17 |
YMg2 | ICSD | 642908 | P6_3/mmc (194) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.803 | (1;000) | ✗ | 02/02/17 |
Ir | ICSD | 201258 | Pmma (51) | ✔ | 2 | 34 | 1 | 0.0 | 0.000 | 0.997 | (0;000) | ✗ | 02/02/17 |
RbBr | ICSD | 61560 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 4.1418 | 4.159 | 0.000 | (0;000) | ✗ | 27/01/17 |
KIO3 | ICSD | 424864 | R3 (146) | ✗ | 10 | 68 | 3 | 2.2905 | 2.302 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg3TeO6 | ICSD | 6309 | R-3 (148) | ✔ | 20 | 144 | 3 | 3.7139 | 3.936 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlBr | ICSD | 61519 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 1.7789 | 1.779 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbS | ICSD | 183255 | P6_3mc (186) | ✗ | 4 | 40 | 2 | 0.8123 | 1.012 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg5Tl2 | ICSD | 150631 | Ibam (72) | ✔ | 14 | 152 | 3 | 0.0 | 0.031 | 0.508 | (0;111) | ✗ | 02/02/17 |
SiNi2 | ICSD | 105342 | P6_3/mmc (194) | ✔ | 6 | 48 | 3 | 0.0 | 0.004 | 0.711 | (0;000) | ✗ | 06/10/16 |
KIO3 | ICSD | 97995 | R3m (160) | ✗ | 5 | 34 | 1 | 2.7686 | 2.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgNi2P | ICSD | 74784 | Pnma (62) | ✔ | 16 | 140 | 3 | 0.0 | 0.001 | 0.347 | (0;101) | ✗ | 02/02/17 |
MgSeO3 | ICSD | 494 | Pnma (62) | ✔ | 20 | 136 | 3 | 4.1899 | 4.512 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiIO3 | ICSD | 14344 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.6031 | 3.690 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ni3Sn | ICSD | 646747 | Pmmn (59) | ✔ | 8 | 88 | 3 | 0.0 | 0.014 | 0.443 | (0;010) | ✗ | 27/01/17 |
MgS2O7 | ICSD | 426707 | P-1 (2) | ✔ | 20 | 128 | 3 | 5.9973 | 5.997 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrMgPb | ICSD | 642747 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.019 | 0.113 | (0;000) | ✗ | 02/02/17 |
MgPS3 | ICSD | 642729 | C2/m (12) | ✔ | 10 | 66 | 2 | 2.4505 | 2.456 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgPSe3 | ICSD | 642731 | R-3 (148) | ✔ | 10 | 66 | 2 | 2.0858 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrMgPt | ICSD | 426614 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.031 | 0.481 | (1;000) | ✗ | 02/02/17 |
MgSn4Ru | ICSD | 412492 | I4/mcm (140) | ✔ | 12 | 164 | 3 | 0.0 | 0.011 | 0.263 | (0;000) | ✗ | 02/02/17 |
Mg(ScS2)2 | ICSD | 37423 | Fd-3m (227) | ✔ | 14 | 112 | 3 | 1.5359 | 1.536 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg(ScSe2)2 | ICSD | 642814 | Fd-3m (227) | ✔ | 14 | 112 | 3 | 0.9141 | 0.914 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgSe2 | ICSD | 642815 | Pa3 (205) | ✔ | 12 | 88 | 3 | 1.5797 | 1.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2MgSe4 | ICSD | 76052 | Fd-3m (227) | ✔ | 14 | 112 | 3 | 1.0839 | 1.084 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiIO3 | ICSD | 14377 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.4203 | 3.524 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgTe2 | ICSD | 41733 | Pa3 (205) | ✔ | 12 | 88 | 3 | 1.0933 | 1.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiIO3 | ICSD | 20012 | P6_322 (182) | ✗ | 10 | 56 | 3 | 0.0 | 0.562 | 0.201 | (0;000) | ✔ | 06/10/16 |
YMn2 | ICSD | 643877 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.004 | 0.699 | (0;000) | ✗ | 02/02/17 |
Rb2Mn3O4 | ICSD | 425217 | C2/c (15) | ✔ | 18 | 174 | 3 | 0.0 | 0.000 | 0.430 | (0;101) | ✗ | 02/02/17 |
KAgC2 | ICSD | 410874 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 2.3634 | 2.681 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdTe | ICSD | 108238 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.528 | 0.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2Mn3Se4 | ICSD | 78937 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.540 | (1;100) | ✗ | 02/02/17 |
Mn3V2Si3 | ICSD | 643689 | P6_3/mcm (193) | ✔ | 16 | 166 | 3 | 0.0 | 0.000 | 0.773 | (1;001) | ✗ | 02/02/17 |
Zr(MnSn)6 | ICSD | 54928 | P6/mmm (191) | ✔ | 13 | 178 | 3 | 0.0 | 0.001 | 0.647 | (0;001) | ✗ | 02/02/17 |
Sr2MnMoO6 | ICSD | 187668 | P2_1/c (14) | ✔ | 20 | 170 | 3 | 0.0 | 0.000 | 0.979 | (0;101) | ✗ | 02/02/17 |
Sr3MnN3 | ICSD | 80772 | P6_3/m (176) | ✔ | 14 | 120 | 1 | 0.0 | 0.002 | 0.909 | (0;000) | ✗ | 02/02/17 |