▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SnMo3 | COD | 1521796 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.000 | 0.805 | (0;111) | ✗ | 27/01/17 |
ZrMo3 | COD | 1523052 | Pm-3n (223) | ✔ | 8 | 92 | 3 | 0.0 | 0.000 | 0.613 | (1;111) | ✗ | 27/01/17 |
Mo | ICSD | 45000 | P6/mmm (191) | ✔ | 1 | 14 | 3 | 0.0 | 0.002 | 0.500 | (1;001) | ✗ | 27/01/17 |
CaAs3 | COD | 1529689 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.060 | 0.008 | (1;100) | ✗ | 05/01/17 |
Ni3Mo | COD | 1522820 | Pmmn (59) | ✔ | 8 | 88 | 3 | 0.0 | 0.008 | 0.773 | (1;000) | ✗ | 27/01/17 |
Ni4Mo | COD | 1523776 | I4/m (87) | ✔ | 5 | 54 | 3 | 0.0 | 0.001 | 0.721 | (1;000) | ✗ | 27/01/17 |
MoN | ICSD | 106926 | Imma (74) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.816 | (1;110) | ✗ | 27/01/17 |
BiTeI | ICSD | 74501 | P3m1 (156) | ✗ | 3 | 18 | 2 | 0.0 | 0.003 | 0.261 | (0;000) | ✔ | 06/10/16 |
NiMoO4 | ICSD | 81060 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.014 | 0.472 | (0;110) | ✗ | 27/01/17 |
Sr2NiMoO6 | ICSD | 28600 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.768 | (0;000) | ✗ | 27/01/17 |
NiMoP2 | ICSD | 76283 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.016 | 0.293 | (0;000) | ✗ | 27/01/17 |
TaMoN | COD | 1525430 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.001 | 0.382 | (1;000) | ✗ | 27/01/17 |
MoO2 | ICSD | 99714 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 0.0 | 0.007 | 0.254 | (0;000) | ✗ | 27/01/17 |
MoO2 | COD | 9009090 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.0 | 0.009 | 0.278 | (0;000) | ✗ | 27/01/17 |
SrMoO3 | ICSD | 174206 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
SrMoO3 | ICSD | 174207 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
CsZn4As3 | COD | 4326066 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.040 | 0.073 | (0;001) | ✗ | 05/01/17 |
Sr2MoO4 | ICSD | 152123 | I4/mmm (139) | ✔ | 7 | 58 | 3 | 0.0 | 0.050 | 0.763 | (0;000) | ✗ | 27/01/17 |
SrMoO4 | ICSD | 248458 | I4_1/a (88) | ✔ | 12 | 96 | 3 | 0.0 | 0.008 | 0.161 | (1;111) | ✗ | 27/01/17 |
Mo2As3 | ICSD | 43184 | C2/m (12) | ✔ | 10 | 86 | 3 | 0.0 | 0.017 | 0.254 | (0;111) | ✗ | 05/01/17 |
RbZn4As3 | COD | 4326074 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.021 | 0.003 | (0;001) | ✗ | 05/01/17 |
MoPO5 | ICSD | 36095 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.503 | (1;001) | ✗ | 27/01/17 |
VMoO5 | ICSD | 27315 | P4/n (85) | ✔ | 14 | 114 | 3 | 0.0 | 0.000 | 0.454 | (1;001) | ✗ | 27/01/17 |
Mo(RhO3)2 | COD | 1008254 | P4_2/mnm (136) | ✔ | 18 | 168 | 3 | 0.0 | 0.006 | 0.445 | (1;000) | ✗ | 27/01/17 |
Sr2TiMoO6 | ICSD | 189335 | P-1 (2) | ✔ | 10 | 82 | 3 | 0.0 | 0.048 | 0.745 | (0;000) | ✗ | 27/01/17 |
CaSi | ICSD | 190659 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.007 | 0.172 | (1;000) | ✗ | 06/10/16 |
Mo | COD | 9008474 | Fm-3m (225) | ✔ | 1 | 14 | 3 | 0.0 | 0.010 | 0.426 | (0;000) | ✗ | 27/01/17 |
Mo | COD | 9012432 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.546 | (0;111) | ✗ | 27/01/17 |
MoP4 | COD | 2106092 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.019 | 0.126 | (1;000) | ✗ | 27/01/17 |
MoPRu | COD | 1532784 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.713 | (0;011) | ✗ | 27/01/17 |
MoPt2 | COD | 1522847 | Immm (71) | ✔ | 3 | 34 | 3 | 0.0 | 0.047 | 0.690 | (1;111) | ✗ | 27/01/17 |
MoPt | ICSD | 644160 | Pmma (51) | ✔ | 4 | 48 | 3 | 0.0 | 0.065 | 0.516 | (0;101) | ✗ | 27/01/17 |
MoRh3 | COD | 1523677 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 27/01/17 |
BiTeI | ICSD | 79364 | P3m1 (156) | ✗ | 3 | 18 | 2 | 0.0 | 0.006 | 0.006 | (1;100) | ✔ | 06/10/16 |
Mo5As4 | ICSD | 43187 | I4/m (87) | ✔ | 9 | 90 | 3 | 0.0 | 0.001 | 0.537 | (1;000) | ✗ | 05/01/17 |
Mo5As4 | ICSD | 610956 | I4/m (87) | ✔ | 9 | 90 | 3 | 0.0 | 0.001 | 0.847 | (1;111) | ✗ | 05/01/17 |
BaAsAu | ICSD | 420341 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.000 | 0.046 | (1;000) | ✗ | 05/01/17 |
Si2Mo | COD | 1010282 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.040 | 0.239 | (1;111) | ✗ | 27/01/17 |
CaAsAu | ICSD | 107915 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.020 | 0.040 | (1;000) | ✗ | 05/01/17 |
Zn6Mo | ICSD | 260686 | Fm-3m (225) | ✔ | 7 | 86 | 3 | 0.0 | 0.000 | 0.535 | (1;000) | ✗ | 27/01/17 |
Zn7Mo | ICSD | 130003 | Fm-3m (225) | ✔ | 8 | 98 | 3 | 0.0 | 0.056 | 0.627 | (1;000) | ✗ | 27/01/17 |
TiSi2 | ICSD | 168418 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.009 | 0.350 | (0;110) | ✗ | 27/01/17 |
ScAl3 | ICSD | 107878 | Pm-3m (221) | ✔ | 4 | 20 | 3 | 0.0 | 0.000 | 0.463 | (0;111) | ✗ | 05/01/17 |
BaCuAs | ICSD | 41705 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.214 | 0.134 | (0;000) | ✗ | 05/01/17 |
CdC | ICSD | 183178 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.000 | 0.842 | (0;000) | ✔ | 06/10/16 |
N2O | COD | 1010149 | Pn-3m (224) | ✔ | 12 | 64 | 3 | 0.0 | 0.004 | 0.551 | (0;000) | ✗ | 27/01/17 |
Zr2SeN2 | ICSD | 424266 | P6_3/mmc (194) | ✔ | 10 | 48 | 3 | 0.0 | 1.360 | 0.034 | (0;000) | ✗ | 27/01/17 |
LaS | ICSD | 69581 | Cm2e (39) | ✗ | 4 | 18 | 2 | 0.0 | 0.001 | 0.772 | (0;010) | ✔ | 06/10/16 |
SrN2 | ICSD | 423722 | I4/mmm (139) | ✔ | 3 | 20 | 1 | 0.0 | 0.005 | 0.580 | (0;000) | ✗ | 27/01/17 |
CaSn | ICSD | 165193 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.065 | 0.315 | (0;110) | ✗ | 06/10/16 |
SrZrN2 | ICSD | 82537 | R-3m (166) | ✔ | 4 | 24 | 2 | 0.0 | 0.609 | 0.011 | (0;000) | ✗ | 27/01/17 |
BaMnAsF | ICSD | 248365 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.857 | (0;000) | ✗ | 05/01/17 |
HfAu2 | ICSD | 611956 | I4/mmm (139) | ✔ | 3 | 34 | 3 | 0.0 | 0.007 | 0.298 | (1;000) | ✗ | 05/01/17 |
BiPd2Pb | ICSD | 58830 | Cm (8) | ✗ | 8 | 130 | 3 | 0.0 | 0.009 | 0.811 | (1;011) | ✔ | 28/11/16 |
WN2 | ICSD | 30364 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.002 | 0.186 | (1;000) | ✗ | 27/01/17 |
CaSn | ICSD | 55220 | Ccmm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.013 | 0.316 | (1;000) | ✗ | 06/10/16 |
NaN3 | ICSD | 29383 | C2/m (12) | ✔ | 4 | 24 | 1 | 0.0 | 0.008 | 0.483 | (0;110) | ✗ | 27/01/17 |
BiTePd | ICSD | 70060 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.727 | ? | ✗ | 06/10/16 |
RbN3 | COD | 1010040 | P4/mmm (123) | ✔ | 4 | 24 | 1 | 0.0 | 0.001 | 0.299 | (1;000) | ✗ | 27/01/17 |
BiTePt | ICSD | 42549 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.739 | ? | ✗ | 06/10/16 |
Ca2As | COD | 9008351 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.008 | 0.092 | (0;000) | ✗ | 05/01/17 |
La2O3 | ICSD | 26864 | P321 (150) | ✗ | 5 | 24 | 3 | 0.0 | 0.004 | 0.297 | (1;000) | ✔ | 06/10/16 |
W3N4 | ICSD | 30370 | Pm-3m (221) | ✔ | 7 | 62 | 3 | 0.0 | 0.011 | 0.745 | (1;111) | ✗ | 27/01/17 |
CaTe | ICSD | 41959 | Pnma (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.022 | 0.119 | (0;000) | ✗ | 27/01/17 |
Ge3(BiTe3)2 | ICSD | 658931 | R3m (160) | ✗ | 11 | 58 | 2 | 0.0 | 0.040 | 0.226 | ? | ✗ | 06/10/16 |
CaCuAs | ICSD | 659435 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.386 | 0.035 | (0;000) | ✗ | 05/01/17 |
CaFeAsF | ICSD | 186504 | P4/nmm (129) | ✔ | 8 | 60 | 1 | 0.0 | 0.008 | 0.457 | (0;000) | ✗ | 05/01/17 |
CaZn | ICSD | 184361 | Cmcm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.012 | 0.543 | (1;110) | ✗ | 27/01/17 |
Na2SO4 | ICSD | 27955 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.0 | 0.000 | 0.521 | (1;000) | ✗ | 27/01/17 |
HfCoAs | ICSD | 406953 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.026 | 0.019 | (1;000) | ✗ | 05/01/17 |
LiCoAs | ICSD | 107932 | P4/nmm (129) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.776 | (0;001) | ✗ | 05/01/17 |
MnCoAs | ICSD | 610084 | Pnma (62) | ✔ | 12 | 148 | 3 | 0.0 | 0.001 | 0.503 | (1;011) | ✗ | 05/01/17 |
GaAs | ICSD | 43950 | I2mm (44) | ✗ | 2 | 18 | 3 | 0.0 | 0.036 | 0.463 | (0;111) | ✔ | 06/10/16 |
Na2Ti2Sb2O | ICSD | 91204 | I4/mmm (139) | ✔ | 7 | 58 | 1 | 0.0 | 0.019 | 0.592 | (0;000) | ✗ | 27/01/17 |
CrC | ICSD | 181709 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.443 | (0;100) | ✔ | 06/10/16 |
LiRh | ICSD | 150551 | P-6m2 (187) | ✗ | 2 | 20 | 3 | 0.0 | 0.034 | 0.321 | (0;100) | ✔ | 06/10/16 |
CaZn | ICSD | 58944 | Ccmm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.019 | 0.538 | (0;110) | ✗ | 06/10/16 |
NbCoAs | ICSD | 610089 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.332 | (1;011) | ✗ | 05/01/17 |
CoAs | COD | 9007664 | Pnma (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.024 | 0.383 | (0;000) | ✗ | 05/01/17 |
CoAs | COD | 9008927 | Cmcm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.026 | 0.658 | (0;000) | ✗ | 05/01/17 |
CoAsRh | COD | 1008977 | Pnma (62) | ✔ | 12 | 156 | 3 | 0.0 | 0.001 | 0.466 | (1;011) | ✗ | 05/01/17 |
Na | ICSD | 189460 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.273 | 0.143 | (0;000) | ✗ | 27/01/17 |
Ca3Hg | ICSD | 58903 | Pm-3m (221) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.492 | (1;000) | ✗ | 27/01/17 |
CoAsS | ICSD | 44607 | P2_1/c (14) | ✔ | 12 | 112 | 3 | 0.0 | 0.019 | 0.303 | (0;000) | ✗ | 05/01/17 |
Cr2As | COD | 9008330 | P4/nmm (129) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.594 | (0;001) | ✗ | 05/01/17 |
Cr3AsN | ICSD | 25760 | I4/mcm (140) | ✔ | 10 | 104 | 3 | 0.0 | 0.002 | 0.578 | (0;111) | ✗ | 05/01/17 |
CrAs | ICSD | 107934 | P6_3/mmc (194) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.793 | (1;000) | ✗ | 05/01/17 |
LiRh3 | ICSD | 642290 | Im2m (44) | ✗ | 4 | 54 | 3 | 0.0 | 0.001 | 0.690 | (0;101) | ✔ | 06/10/16 |
NaO2 | ICSD | 26582 | Pa3 (205) | ✔ | 12 | 84 | 1 | 0.0 | 0.000 | 0.289 | (0;111) | ✗ | 27/01/17 |
Ca3Zn | ICSD | 184359 | Cmcm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.002 | 0.471 | (1;110) | ✗ | 02/02/17 |
NaO2 | ICSD | 87181 | Pnnm (58) | ✔ | 6 | 42 | 1 | 0.0 | 0.000 | 0.983 | (0;101) | ✗ | 27/01/17 |
CrAs | COD | 9008929 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.447 | (1;011) | ✗ | 05/01/17 |
Ca3SiBr2 | ICSD | 89541 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.002 | 0.536 | (1;000) | ✔ | 05/12/16 |
NaVO2 | ICSD | 420137 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.0 | 0.003 | 0.470 | (0;000) | ✗ | 27/01/17 |
CsMnAs | ICSD | 40572 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.833 | (1;001) | ✗ | 05/01/17 |
Cu2As | COD | 1527863 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.811 | (1;000) | ✗ | 05/01/17 |
MgCd | ICSD | 102022 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.023 | 0.371 | (0;100) | ✗ | 06/10/16 |
Ca3SiBr2 | ICSD | 89542 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.004 | 0.425 | ? | ✗ | 06/10/16 |
NaPd3O4 | ICSD | 245608 | Pm-3n (223) | ✔ | 16 | 174 | 3 | 0.0 | 0.000 | 0.909 | (0;000) | ✗ | 27/01/17 |
NaPt3O4 | ICSD | 32546 | Pm-3n (223) | ✔ | 16 | 126 | 3 | 0.0 | 0.000 | 0.761 | (1;000) | ✗ | 27/01/17 |