▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MoS2 | ICSD | 24000 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8501 | 1.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbNiB | COD | 1511255 | Cmcm (63) | ✔ | 6 | 52 | 3 | 0.0 | 0.011 | 0.215 | (1;110) | ✗ | 27/01/17 |
TaNiB | ICSD | 615023 | Cmcm (63) | ✔ | 6 | 52 | 3 | 0.0 | 0.029 | 0.198 | (1;110) | ✗ | 27/01/17 |
OsN2 | ICSD | 157283 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.0 | 0.040 | 0.182 | (0;000) | ✗ | 06/10/16 |
RuN2 | ICSD | 240754 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.0 | 0.037 | 0.341 | (0;000) | ✗ | 06/10/16 |
CsSbO2 | COD | 2007633 | C2/c (15) | ✔ | 8 | 52 | 1 | 2.476 | 2.493 | 0.000 | (0;000) | ✗ | 27/01/17 |
InBrO | ICSD | 24059 | Pmmn (59) | ✔ | 6 | 52 | 2 | 2.2656 | 2.325 | 0.000 | (0;000) | ✗ | 27/01/17 |
VBrO | ICSD | 27010 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.005 | 0.462 | (0;001) | ✗ | 27/01/17 |
SnO2 | ICSD | 157449 | Pmnn (58) | ✔ | 6 | 52 | 3 | 1.3036 | 1.304 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zn(H3C)2 | ICSD | 262113 | P2_1/c (14) | ✔ | 18 | 52 | 2 | 4.5024 | 4.572 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaGaH4 | ICSD | 67309 | Cmcm (63) | ✔ | 12 | 52 | 1 | 4.9199 | 5.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
P2Os | ICSD | 42609 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.727 | 1.144 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sb2Os | ICSD | 42611 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.4307 | 0.991 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaCuSe | COD | 7221370 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.0 | 0.003 | 0.012 | (1;000) | ✗ | 27/01/17 |
P2Ru | ICSD | 42607 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.5463 | 1.339 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca2CdPt2 | ICSD | 424554 | Immm (71) | ✔ | 5 | 52 | 3 | 0.0 | 0.034 | 0.602 | (0;000) | ✗ | 27/01/17 |
NaCuTe | COD | 7221371 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.4336 | 0.434 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(CoGe)2 | ICSD | 406 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.024 | 0.628 | (1;111) | ✗ | 27/01/17 |
Ca(CoSi)2 | ICSD | 420974 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.022 | 0.623 | (1;111) | ✗ | 27/01/17 |
CaCuSb | ICSD | 42137 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.463 | 0.122 | (0;000) | ✗ | 27/01/17 |
CaCuP | ICSD | 49740 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.861 | 0.050 | (0;000) | ✗ | 27/01/17 |
LiSi2N3 | ICSD | 34118 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 4.9582 | 5.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiSi2N3 | ICSD | 89524 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 5.1783 | 5.661 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(GeIr)2 | ICSD | 52755 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.072 | 0.573 | (1;111) | ✗ | 27/01/17 |
Ca(GeRh)2 | ICSD | 52760 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.013 | 0.621 | (1;111) | ✗ | 27/01/17 |
CaZnGe | ICSD | 52772 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.183 | 0.172 | (0;000) | ✗ | 27/01/17 |
AgCNO | ICSD | 23832 | Cmcm (63) | ✔ | 8 | 52 | 3 | 2.1874 | 2.631 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgCNO | ICSD | 260378 | Pmmn (59) | ✔ | 8 | 52 | 3 | 1.449 | 1.655 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnF2 | COD | 9007539 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 3.5066 | 3.507 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnS2 | ICSD | 43003 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 1.2053 | 1.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sb2Ru | ICSD | 42608 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.0682 | 0.627 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnCl2 | ICSD | 15916 | I-42d (122) | ✗ | 6 | 52 | 3 | 3.8632 | 3.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ga | COD | 1512506 | Cmce (64) | ✔ | 4 | 52 | 3 | 0.0 | 0.033 | 0.187 | (1;110) | ✗ | 27/01/17 |
Mn3AlC | ICSD | 606226 | Pm-3m (221) | ✔ | 5 | 52 | 3 | 0.0 | 0.000 | 0.367 | (1;000) | ✗ | 27/01/17 |
Ca(PRu)2 | ICSD | 602125 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.042 | 0.567 | (1;111) | ✗ | 27/01/17 |
CaPb3 | COD | 5910096 | Pm-3m (221) | ✔ | 4 | 52 | 3 | 0.0 | 0.000 | 0.455 | (0;111) | ✗ | 27/01/17 |
MoSeS | ICSD | 191307 | P-6m2 (187) | ✗ | 6 | 52 | 2 | 0.0 | 0.046 | 0.697 | (0;000) | ✔ | 06/10/16 |
Ca(SiRh)2 | ICSD | 425469 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.036 | 0.611 | (1;111) | ✗ | 27/01/17 |
CaZnSi | ICSD | 52791 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.382 | 0.187 | (0;000) | ✗ | 27/01/17 |
CaSn3 | COD | 5910066 | Pm-3m (221) | ✔ | 4 | 52 | 3 | 0.0 | 0.005 | 0.323 | (0;111) | ✗ | 27/01/17 |
CoGe | ICSD | 184254 | C2/m (12) | ✔ | 8 | 52 | 3 | 0.0 | 0.012 | 0.761 | (0;000) | ✔ | 06/10/16 |
LiNO3 | ICSD | 67981 | R-3c (167) | ✔ | 10 | 52 | 2 | 3.109 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2Fe2Se2O | ICSD | 186502 | I4/mmm (139) | ✔ | 7 | 52 | 1 | 0.0 | 0.004 | 0.459 | (0;000) | ✗ | 27/01/17 |
LiScO2 | ICSD | 36124 | I4_1/amd (141) | ✔ | 8 | 52 | 3 | 3.951 | 3.968 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2LiN | COD | 1526567 | P4/nmm (129) | ✔ | 8 | 52 | 1 | 0.8797 | 0.880 | 0.000 | (0;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 |
MoS2 | ICSD | 644259 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8813 | 1.652 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoS2 | COD | 9007660 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.7111 | 1.549 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnNi3Sb2 | ICSD | 240197 | P-3m1 (164) | ✔ | 6 | 52 | 3 | 0.0 | 0.003 | 0.629 | (0;001) | ✗ | 27/01/17 |