Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pb(SN)2 | ICSD | 49539 | P2_12_12_1 (19) | ✗ | 20 | 144 | 1 | 1.3435 | 1.403 | 0.000 | (0;000) | ✗ | 29/03/17 |
| SrPdF4 | ICSD | 108990 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.4029 | 1.403 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbCu3Te4 | ICSD | 169544 | P-43m (215) | ✗ | 8 | 70 | 3 | 0.8706 | 1.403 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsPdCl3 | ICSD | 89568 | Ibam (72) | ✔ | 20 | 192 | 1 | 1.4033 | 1.403 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsBr2F | ICSD | 84019 | P4/mmm (123) | ✔ | 4 | 30 | 1 | 1.4039 | 1.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Hg2ClO | COD | 2310659 | C2/c (15) | ✔ | 16 | 148 | 3 | 1.3653 | 1.404 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PdSeO4 | ICSD | 416646 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.2734 | 1.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PdSe2 | ICSD | 641298 | Immm (71) | ✔ | 5 | 48 | 1 | 0.8935 | 1.406 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiZnP | ICSD | 642242 | F-43m (216) | ✗ | 3 | 20 | 3 | 1.347 | 1.406 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AuCl3 | COD | 2310075 | P2_1/c (14) | ✔ | 16 | 128 | 1 | 1.314 | 1.408 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2SiAs2 | ICSD | 40426 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.0103 | 1.409 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaNb2O6 | ICSD | 28253 | Pmma (51) | ✔ | 18 | 144 | 3 | 1.3837 | 1.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PAuS4 | COD | 1510268 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.0351 | 1.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbI2 | ICSD | 23763 | P3m1 (156) | ✗ | 21 | 196 | 1 | 1.4109 | 1.411 | 0.000 | (0;000) | ✗ | 07/08/17 |
| RbInTe2 | ICSD | 75346 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.9151 | 1.411 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaHfS3 | ICSD | 619354 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.4127 | 1.413 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCuO | COD | 1527532 | I4/m (87) | ✔ | 12 | 104 | 2 | 1.3663 | 1.415 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2SnSe3 | COD | 4001782 | Cc (9) | ✗ | 12 | 76 | 1 | 1.4145 | 1.415 | 0.000 | (0;000) | ✗ | 29/03/17 |
| RbCuO | ICSD | 15100 | I4/m (87) | ✔ | 12 | 104 | 2 | 1.3663 | 1.415 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2PdF4 | ICSD | 71101 | P2_1/c (14) | ✔ | 14 | 128 | 1 | 1.3759 | 1.415 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiB6 | COD | 1511645 | Pm-3m (221) | ✔ | 7 | 22 | 3 | 0.4197 | 1.416 | 0.000 | (0;000) | ✗ | 05/01/17 |
| GePb3O5 | ICSD | 200517 | P2 (3) | ✗ | 9 | 76 | 3 | 1.3013 | 1.417 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaS3 | ICSD | 23637 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 1.3893 | 1.418 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2TeI6 | ICSD | 36009 | P4/mnc (128) | ✔ | 18 | 132 | 1 | 1.152 | 1.419 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2VAgS4 | ICSD | 66840 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.3061 | 1.419 | 0.000 | (0;000) | ✗ | 16/03/17 |
| ZnCdS2 | ICSD | 168375 | P-4m2 (115) | ✗ | 4 | 36 | 3 | 1.4199 | 1.420 | 0.000 | (0;000) | ✗ | 07/10/16 |
| SbTeIr | ICSD | 640967 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.0495 | 1.421 | 0.000 | (0;000) | ✗ | 29/03/17 |
| H4C4SO | COD | 2010884 | P-1 (2) | ✔ | 20 | 64 | 1 | 1.3594 | 1.421 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Pt3S4 | ICSD | 26266 | Fmmm (69) | ✔ | 9 | 72 | 1 | 1.1613 | 1.421 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlSb | ICSD | 151218 | F-43m (216) | ✗ | 2 | 8 | 3 | 0.9754 | 1.422 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PbS | ICSD | 183249 | Pbm2 (28) | ✗ | 8 | 80 | 2 | 0.8462 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrCl2 | ICSD | 20144 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8387 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PbI2 | ICSD | 24263 | P6_3mc (186) | ✗ | 6 | 56 | 2 | 1.4242 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AsSeI | COD | 1530126 | P2_1/c (14) | ✔ | 12 | 72 | 2 | 1.2995 | 1.425 | 0.000 | (0;000) | ✗ | 30/01/17 |
| TiHgO3 | ICSD | 19005 | R-3c (167) | ✔ | 10 | 84 | 3 | 1.4258 | 1.426 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2ZnSe4 | ICSD | 609325 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 1.4262 | 1.426 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaNiF6 | ICSD | 35396 | R-3m (166) | ✔ | 8 | 62 | 1 | 1.4123 | 1.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba3In2O6 | COD | 2002418 | I4/mmm (139) | ✔ | 11 | 92 | 2 | 0.9533 | 1.427 | 0.000 | (0;000) | ✗ | 21/03/17 |
| WCl6 | ICSD | 425148 | P-3m1 (164) | ✔ | 21 | 210 | 1 | 1.4267 | 1.427 | 0.000 | (0;000) | ✗ | 08/08/17 |
| CrHgO4 | ICSD | 416147 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.4079 | 1.427 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba(GaP)2 | COD | 4316404 | P2_1/c (14) | ✔ | 20 | 184 | 1 | 1.428 | 1.428 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrIN | ICSD | 190381 | R-3m (166) | ✔ | 6 | 32 | 2 | 0.4372 | 1.429 | 0.000 | (0;000) | ✗ | 30/01/17 |
| InS | ICSD | 15931 | Pnnm (58) | ✔ | 8 | 76 | 3 | 0.6548 | 1.429 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgO2 | ICSD | 655816 | C2/m (12) | ✔ | 3 | 24 | 3 | 0.8821 | 1.430 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgO2 | ICSD | 48214 | C2/m (12) | ✔ | 3 | 24 | 3 | 0.8828 | 1.430 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd3(ClO)2 | ICSD | 300028 | P2_1/c (14) | ✔ | 14 | 124 | 3 | 1.2957 | 1.430 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TiHgO3 | COD | 1528887 | R-3c (167) | ✔ | 10 | 84 | 3 | 1.4307 | 1.431 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbI2 | ICSD | 23762 | P3m1 (156) | ✗ | 15 | 140 | 1 | 1.4309 | 1.431 | 0.000 | (0;000) | ✗ | 29/03/17 |
| AuBr | COD | 1510609 | I4_1/amd (141) | ✔ | 8 | 72 | 3 | 1.431 | 1.431 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdSb6(S2I)4 | ICSD | 27733 | P-1 (2) | ✔ | 19 | 118 | 1 | 1.4312 | 1.431 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlF | ICSD | 16112 | Pma2 (28) | ✗ | 8 | 80 | 2 | 1.4283 | 1.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cu2WS4 | ICSD | 72529 | P-42m (111) | ✗ | 7 | 74 | 2 | 1.0439 | 1.432 | 0.000 | (0;000) | ✗ | 11/04/17 |
| IrBr3 | COD | 1527188 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.389 | 1.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd4GeS6 | COD | 2003996 | Cc (9) | ✗ | 22 | 176 | 3 | 1.4332 | 1.433 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Nb(SCl)2 | COD | 1522781 | C2/m (12) | ✔ | 10 | 78 | 2 | 1.4336 | 1.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As(IF2)3 | COD | 4343792 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.4081 | 1.434 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdBiS2Br | ICSD | 171725 | C2/m (12) | ✔ | 10 | 92 | 3 | 1.4263 | 1.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PtCCl2O | COD | 2102529 | P4_2/m (84) | ✔ | 20 | 136 | 2 | 1.4271 | 1.435 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbI2 | COD | 9009142 | R-3m (166) | ✔ | 3 | 28 | 2 | 1.436 | 1.436 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiCaN | ICSD | 107304 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.437 | 1.437 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsTiCu3Se4 | ICSD | 391259 | P2_1/m (11) | ✔ | 18 | 156 | 2 | 1.2556 | 1.438 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3TiS5 | COD | 1530517 | I4/mcm (140) | ✔ | 18 | 144 | 1 | 1.4393 | 1.439 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca3N2 | ICSD | 162794 | C2/m (12) | ✔ | 15 | 120 | 1 | 1.3801 | 1.440 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(GaSe2)2 | ICSD | 52802 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.4403 | 1.440 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdO2 | ICSD | 36151 | Pa3 (205) | ✔ | 12 | 96 | 3 | 1.3975 | 1.441 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ICl | ICSD | 23886 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.283 | 1.441 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbI2 | COD | 9009141 | P3m1 (156) | ✗ | 9 | 84 | 1 | 1.4418 | 1.442 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Cs2SiAs2 | COD | 1008523 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.1343 | 1.444 | 0.000 | (0;000) | ✗ | 30/01/17 |
| PbI2 | COD | 9009143 | R-3m (166) | ✔ | 6 | 56 | 2 | 1.4443 | 1.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2HgS3 | ICSD | 32647 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.4448 | 1.445 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd(GaSe2)2 | ICSD | 30908 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.445 | 1.445 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrHfS3 | ICSD | 638863 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.4451 | 1.445 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAg3S2 | COD | 1510034 | C2/m (12) | ✔ | 12 | 108 | 1 | 1.236 | 1.446 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiV3O8 | COD | 2310690 | P2_1/m (11) | ✔ | 24 | 180 | 3 | 1.2762 | 1.447 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrS | ICSD | 52111 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 1.0911 | 1.447 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaCuN2 | COD | 4030363 | R-3m (166) | ✔ | 4 | 34 | 3 | 0.8763 | 1.447 | 0.000 | (0;000) | ✗ | 27/01/17 |
| S5N5Cl | ICSD | 62528 | C2/c (15) | ✔ | 22 | 124 | 1 | 1.4462 | 1.448 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr4PdO6 | ICSD | 88135 | R-3c (167) | ✔ | 22 | 188 | 2 | 1.4423 | 1.449 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Ba(BeN)2 | ICSD | 415304 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 1.3639 | 1.449 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RbCaAs | ICSD | 409177 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.3437 | 1.450 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SbSI | ICSD | 28305 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.329 | 1.450 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb5(IF4)2 | ICSD | 36334 | R3m (160) | ✗ | 15 | 140 | 1 | 0.903 | 1.450 | 0.000 | (0;000) | ✗ | 11/04/17 |
| CuBr | COD | 9013935 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.451 | 0.044 | (0;000) | ✗ | 27/01/17 |
| CsI4 | ICSD | 44621 | P2_1/c (14) | ✔ | 20 | 148 | 1 | 1.4286 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InSb2S4Br | ICSD | 159467 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.4395 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi2O3 | ICSD | 168812 | P-42_1c (114) | ✗ | 20 | 112 | 3 | 1.4533 | 1.453 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KSbSe2 | COD | 7221206 | P-1 (2) | ✔ | 16 | 104 | 1 | 1.4458 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaYCuS3 | ICSD | 659166 | Cmcm (63) | ✔ | 12 | 100 | 2 | 1.3296 | 1.455 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr2SN2 | COD | 4124514 | P6_3/mmc (194) | ✔ | 10 | 48 | 3 | 0.1779 | 1.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GePdS3 | ICSD | 408505 | C2/m (12) | ✔ | 10 | 80 | 1 | 1.1255 | 1.456 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Au2Se3 | COD | 4027824 | C2/c (15) | ✔ | 14 | 116 | 1 | 1.449 | 1.456 | 0.000 | (0;000) | ✗ | 21/03/17 |
| AgTeO3 | ICSD | 415472 | P2_1/m (11) | ✔ | 20 | 140 | 3 | 1.3644 | 1.456 | 0.000 | (0;000) | ✗ | 30/01/17 |
| GaP | ICSD | 190425 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.3812 | 1.457 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2PdC2 | ICSD | 421490 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.4251 | 1.457 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Al2CdTe4 | ICSD | 25640 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.4572 | 1.457 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cu2SO4 | ICSD | 40452 | Fddd (70) | ✔ | 14 | 104 | 3 | 1.4434 | 1.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
| P2Pt | COD | 9015563 | Pa3 (205) | ✔ | 12 | 80 | 3 | 1.0589 | 1.460 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2VCuS4 | ICSD | 81414 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.2357 | 1.460 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgI | COD | 9016417 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.0965 | 1.460 | 0.000 | (0;000) | ✗ | 29/03/17 |
| NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |