▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CS2 | COD | 1527106 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3787 | 0.877 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NiO2 | ICSD | 423923 | I4/mmm (139) | ✔ | 5 | 40 | 1 | 0.0 | 0.030 | 0.744 | (0;000) | ✗ | 27/01/17 |
CsNbF6 | ICSD | 412444 | R-3 (148) | ✔ | 8 | 64 | 1 | 5.9823 | 6.038 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaSbSe2F | COD | 1101163 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.1197 | 1.373 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSrF3 | ICSD | 49578 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.5311 | 6.531 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaGaGe | ICSD | 615870 | P6_3/mmc (194) | ✔ | 12 | 108 | 1 | 0.0 | 0.006 | 0.891 | (0;000) | ✗ | 02/02/17 |
CsNiF3 | ICSD | 410394 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.001 | 0.900 | (0;000) | ✗ | 27/01/17 |
CsHF2 | ICSD | 45858 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 6.638 | 6.638 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsH | COD | 9008622 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 2.2162 | 2.216 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsF | COD | 9008621 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.4775 | 5.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsMnP | COD | 1521905 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.806 | (1;001) | ✗ | 27/01/17 |
KIO3 | ICSD | 97995 | R3m (160) | ✗ | 5 | 34 | 1 | 2.7686 | 2.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 14344 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.6031 | 3.690 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 14377 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.4203 | 3.524 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsNO3 | COD | 2106533 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.4434 | 3.443 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(InP)2 | COD | 2017325 | P2_1/m (11) | ✔ | 20 | 184 | 1 | 0.3999 | 0.411 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgH2 | ICSD | 168832 | Pa3 (205) | ✔ | 12 | 48 | 1 | 2.6473 | 3.399 | 0.000 | (0;000) | ✗ | 27/01/17 |
H2S | ICSD | 24582 | Fm-3m (225) | ✔ | 3 | 8 | 1 | 0.0 | 0.000 | 0.304 | (1;000) | ✗ | 27/01/17 |
Na2H6PtO6 | ICSD | 251042 | P-3 (147) | ✔ | 15 | 70 | 1 | 2.8576 | 2.890 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2NiO2 | ICSD | 25000 | Immm (71) | ✔ | 5 | 28 | 1 | 0.6319 | 1.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiIO3 | ICSD | 80025 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.6161 | 3.692 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 80026 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.9069 | 3.948 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 9508 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.8139 | 3.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbIO3 | ICSD | 2825 | R3m (160) | ✗ | 5 | 34 | 1 | 2.7038 | 2.708 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlIO3 | ICSD | 62106 | R3m (160) | ✗ | 5 | 38 | 1 | 2.5705 | 2.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2Zr(CuS2)2 | ICSD | 79536 | C2/m (12) | ✔ | 9 | 68 | 1 | 0.0 | 0.012 | 0.006 | (1;000) | ✗ | 27/01/17 |
SbSI | ICSD | 26924 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4207 | 1.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 28263 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4604 | 1.638 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 28264 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.3387 | 1.481 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 28304 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4081 | 1.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 28306 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.3559 | 1.468 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 41589 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.3524 | 1.490 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrCuSeF | ICSD | 172798 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0 | 0.003 | 0.435 | (1;001) | ✗ | 27/01/17 |
SrCuTeF | ICSD | 183708 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3841 | 1.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrCuSF | ICSD | 157433 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4773 | 1.477 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaPd | COD | 9016560 | C2/c (15) | ✔ | 4 | 56 | 1 | 0.0 | 0.010 | 0.519 | (1;000) | ✗ | 02/02/17 |
LiScI3 | ICSD | 73339 | P-6c2 (188) | ✗ | 10 | 70 | 1 | 0.0 | 0.000 | 0.689 | ? | ✗ | 06/10/16 |
BaPS3 | ICSD | 412764 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1945 | 3.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPSe3 | ICSD | 412768 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 2.2266 | 2.278 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSb3 | ICSD | 49000 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.104 | 0.361 | (1;001) | ✔ | 02/02/17 |
NaCuTe | COD | 7221371 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.4336 | 0.434 | 0.000 | (0;000) | ✗ | 27/01/17 |
KFeF4 | ICSD | 23588 | Cmcm (63) | ✔ | 12 | 90 | 1 | 0.0 | 0.001 | 0.935 | (0;000) | ✗ | 27/01/17 |
PF5 | ICSD | 62554 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 7.6983 | 7.698 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbSb | ICSD | 191491 | F-43m (216) | ✗ | 2 | 14 | 1 | 0.0 | 0.000 | 0.134 | (0;000) | ✔ | 06/10/16 |
Rb2O2 | COD | 9008990 | Immm (71) | ✔ | 4 | 30 | 1 | 1.7779 | 1.859 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2Fe2S2OF2 | ICSD | 249688 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.003 | 0.475 | (0;000) | ✗ | 27/01/17 |
InPS4 | ICSD | 23612 | I-4 (82) | ✗ | 6 | 42 | 1 | 0.0 | 0.012 | 0.255 | (0;001) | ✔ | 06/10/16 |
RbSb2 | ICSD | 419402 | C2/m (12) | ✔ | 6 | 38 | 1 | 0.3062 | 0.713 | 0.000 | (0;000) | ✔ | 02/02/17 |
NaAs | ICSD | 182159 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.8758 | 0.946 | 0.000 | (0;000) | ✗ | 30/01/17 |