▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SnS | ICSD | 156130 | Pmnb (62) | ✔ | 8 | 80 | 3 | 0.531 | 0.656 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2CaMoO6 | ICSD | 72815 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1254 | 2.199 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaN6 | ICSD | 412259 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.4748 | 3.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaLi5Sn4 | ICSD | 12142 | R3m (160) | ✗ | 10 | 80 | 2 | 0.0 | 0.016 | 0.377 | ? | ✗ | 06/10/16 |
Mg2PN3 | ICSD | 27229 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.1755 | 3.176 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg2PN3 | ICSD | 50224 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.7075 | 4.301 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaTiO3 | ICSD | 162922 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 2.0423 | 2.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cl2O | ICSD | 407768 | I4_1/amd (141) | ✔ | 12 | 80 | 1 | 1.1441 | 1.193 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSc2F7 | ICSD | 47227 | Cmmm (65) | ✔ | 10 | 80 | 3 | 5.8983 | 5.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSO4 | COD | 5000040 | Cmcm (63) | ✔ | 12 | 80 | 1 | 6.2076 | 6.694 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba3Zr2S7 | COD | 2009500 | I4/mmm (139) | ✔ | 12 | 80 | 2 | 0.4227 | 0.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnSe | ICSD | 108293 | Pmmn (59) | ✔ | 8 | 80 | 3 | 0.0 | 0.023 | 0.636 | (0;000) | ✗ | 27/01/17 |
Sr2CaWO6 | ICSD | 36459 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.8848 | 2.957 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnSe | ICSD | 16997 | Pmcn (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnSe | ICSD | 186650 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.4992 | 0.652 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiS3 | COD | 2310546 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.019 | 0.133 | (0;000) | ✗ | 02/02/17 |
BaTiSe3 | ICSD | 616131 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.002 | 0.267 | (1;000) | ✗ | 02/02/17 |
NaPb2IO6 | ICSD | 427115 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.155 | (0;000) | ✗ | 30/01/17 |
Ti2CdC | ICSD | 42924 | P6_3/mmc (194) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.591 | (0;000) | ✗ | 27/01/17 |
SrHfO3 | ICSD | 89385 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 3.9522 | 3.958 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfSiO4 | COD | 9000852 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 5.4533 | 5.848 | 0.000 | (0;000) | ✗ | 27/01/17 |
N2O5 | ICSD | 30638 | P6_3/mmc (194) | ✔ | 14 | 80 | 1 | 0.6197 | 0.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaC2(SN)2 | ICSD | 94428 | C2/c (15) | ✔ | 14 | 80 | 1 | 0.023 | 0.051 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaC2(SN)2 | ICSD | 412783 | C2/c (15) | ✔ | 14 | 80 | 1 | 3.566 | 3.648 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3GeO | ICSD | 413383 | Imma (74) | ✔ | 10 | 80 | 1 | 0.0 | 0.015 | 0.010 | (0;000) | ✗ | 02/02/17 |
Ca3SiO | ICSD | 413382 | Imma (74) | ✔ | 10 | 80 | 1 | 0.0436 | 0.044 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2CBr2 | COD | 2100676 | C2/c (15) | ✔ | 20 | 80 | 1 | 4.1172 | 4.203 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2CCl2 | COD | 2100015 | Pbcn (60) | ✔ | 20 | 80 | 1 | 5.0549 | 5.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3Li4(GeN3)2 | ICSD | 96422 | C2/m (12) | ✔ | 15 | 80 | 1 | 2.2416 | 2.435 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsMgCl3 | ICSD | 54167 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 5.3995 | 5.400 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNiCl3 | COD | 2007344 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.002 | 0.203 | (0;000) | ✗ | 02/02/17 |
SrTiO3 | ICSD | 182248 | Ic2m (46) | ✗ | 10 | 80 | 3 | 2.0079 | 2.008 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnP | COD | 9008934 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.005 | 0.257 | (1;000) | ✗ | 27/01/17 |
Sb2Pt3 | ICSD | 42752 | Ibam (72) | ✔ | 10 | 80 | 3 | 0.0 | 0.011 | 0.382 | (0;111) | ✗ | 27/01/17 |
P2Pt | COD | 9015563 | Pa3 (205) | ✔ | 12 | 80 | 3 | 1.0589 | 1.460 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnPbS2 | ICSD | 156131 | Pmc2_1 (26) | ✗ | 8 | 80 | 3 | 0.0 | 0.010 | 0.589 | ? | ✗ | 06/10/16 |
NaMgF3 | COD | 9010120 | Cmcm (63) | ✔ | 10 | 80 | 3 | 9.6622 | 9.662 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiPtSe | ICSD | 649595 | P2_1ab (29) | ✗ | 12 | 80 | 3 | 0.661 | 0.803 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnAs | ICSD | 16543 | Pmnb (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.326 | (1;000) | ✗ | 06/10/16 |
BaVSe3 | COD | 1521756 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.358 | (0;000) | ✗ | 02/02/17 |
Ti2GaC | ICSD | 617927 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.976 | (1;000) | ✗ | 27/01/17 |
KRb2VF6 | ICSD | 27345 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.583 | (0;000) | ✗ | 27/01/17 |
Zr2InNi2 | ICSD | 107372 | P4/mbm (127) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.980 | (1;110) | ✗ | 27/01/17 |
Na2Cu2TeO6 | COD | 4309206 | C2/m (12) | ✔ | 11 | 82 | 2 | 0.0768 | 0.144 | 0.000 | (0;000) | ✗ | 27/01/17 |
KC8 | ICSD | 70020 | Fddd (70) | ✔ | 18 | 82 | 2 | 0.0 | 0.000 | 0.815 | (1;111) | ✗ | 02/02/17 |
Ti3Sb | ICSD | 96137 | Pm-3n (223) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.908 | (1;000) | ✗ | 27/01/17 |
Sr2TaInO6 | ICSD | 188420 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 3.9979 | 3.998 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaH2CClO3 | ICSD | 95291 | C2/m (12) | ✔ | 16 | 82 | 1 | 3.5109 | 3.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2NiOsO6 | ICSD | 152442 | I4/m (87) | ✔ | 10 | 82 | 3 | 0.0 | 0.014 | 0.265 | (0;000) | ✗ | 27/01/17 |
Hf2TlC | ICSD | 618061 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.971 | (0;000) | ✗ | 27/01/17 |