Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CsSnCl3 | ICSD | 28082 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.2771 | 0.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KClO3 | ICSD | 188311 | R3m (160) | ✗ | 5 | 34 | 1 | 4.7094 | 4.710 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KClO3 | ICSD | 9483 | R3m (160) | ✗ | 5 | 34 | 2 | 0.924 | 0.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbClO3 | ICSD | 36260 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3577 | 5.830 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbClO3 | ICSD | 10283 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3969 | 5.397 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlClO3 | ICSD | 76434 | R3m (160) | ✗ | 5 | 38 | 1 | 3.9476 | 4.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsPbCl3 | COD | 1530111 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.6886 | 0.689 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsGeCl3 | ICSD | 23121 | R3 (146) | ✗ | 5 | 34 | 1 | 2.3076 | 2.309 | 0.000 | (0;000) | ✗ | 28/10/16 |
| CsHgCl3 | COD | 1010121 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.397 | 0.385 | (0;000) | ✗ | 27/01/17 |
| Ba2ZnN2 | COD | 1005020 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.4276 | 0.537 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2Ni3 | ICSD | 423734 | P-3m1 (164) | ✔ | 5 | 50 | 2 | 0.0 | 0.000 | 0.618 | (1;001) | ✗ | 05/01/17 |
| Ba3PbO | COD | 1525464 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.013 | 0.080 | (0;000) | ✗ | 05/01/17 |
| Ba3SnO | COD | 1525465 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.005 | 0.098 | (1;000) | ✗ | 05/01/17 |
| Ba(MgBi)2 | COD | 7221204 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0 | 0.010 | 0.011 | (0;000) | ✗ | 05/01/17 |
| Ba(CdGe)2 | ICSD | 174263 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.038 | 0.327 | (1;111) | ✗ | 05/01/17 |
| Ba(CdP)2 | ICSD | 30915 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7653 | 0.773 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba(CoGe)2 | ICSD | 420975 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.001 | 0.560 | (1;000) | ✗ | 05/01/17 |
| Ba(CuS)2 | ICSD | 615832 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.5441 | 0.544 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba(CuSe)2 | COD | 1521196 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.3094 | 0.309 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaLiF3 | ICSD | 45310 | Pm-3m (221) | ✔ | 5 | 34 | 1 | 6.6401 | 6.640 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba(FeP)2 | COD | 7221161 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.005 | 0.524 | (1;111) | ✗ | 05/01/17 |
| BaFeO3 | ICSD | 262131 | Pm-3m (221) | ✔ | 5 | 36 | 3 | 0.0 | 0.000 | 0.821 | (1;000) | ✗ | 05/01/17 |
| BaGa4 | ICSD | 615865 | I4/mmm (139) | ✔ | 5 | 62 | 3 | 0.0 | 0.016 | 0.239 | (1;000) | ✗ | 05/01/17 |
| Ba(MnGe)2 | ICSD | 404 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.0 | 0.001 | 0.733 | (0;000) | ✗ | 05/01/17 |
| Ba(GeRh)2 | ICSD | 77146 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.009 | 0.573 | (1;000) | ✗ | 05/01/17 |
| Ba(MgGe)2 | ICSD | 25312 | I4/mmm (139) | ✔ | 5 | 38 | 3 | 0.0 | 0.014 | 0.260 | (1;111) | ✗ | 05/01/17 |
| BaLiH3 | ICSD | 23977 | Pm-3m (221) | ✔ | 5 | 16 | 3 | 0.0 | 0.003 | 0.111 | (0;111) | ✗ | 05/01/17 |
| BaLiH3 | ICSD | 416463 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 2.2583 | 2.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
| OsCl4 | COD | 4343760 | Cmmm (65) | ✔ | 5 | 44 | 1 | 0.0 | 0.322 | 0.353 | (0;000) | ✗ | 27/01/17 |
| Y3TlC | ICSD | 42923 | Pm-3m (221) | ✔ | 5 | 50 | 3 | 0.0 | 0.000 | 0.012 | (1;000) | ✗ | 27/01/17 |
| BaIn4 | ICSD | 414230 | I4/mmm (139) | ✔ | 5 | 62 | 3 | 0.0 | 0.003 | 0.201 | (1;000) | ✗ | 05/01/17 |
| Ba(PIr)2 | COD | 1531850 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.022 | 0.646 | (0;000) | ✗ | 05/01/17 |
| Ba(MgP)2 | ICSD | 30914 | P-3m1 (164) | ✔ | 5 | 40 | 1 | 1.1281 | 1.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba(MgSb)2 | COD | 7221202 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.6084 | 1.317 | 0.000 | (0;000) | ✗ | 05/01/17 |
| GeH4 | ICSD | 183081 | Cmmm (65) | ✔ | 5 | 8 | 3 | 0.0 | 0.030 | 0.655 | (1;110) | ✗ | 06/10/16 |
| Ba(MgSi)2 | ICSD | 25311 | I4/mmm (139) | ✔ | 5 | 38 | 3 | 0.0 | 0.011 | 0.286 | (0;000) | ✗ | 05/01/17 |
| Ba(MnP)2 | COD | 7221162 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.007 | 0.827 | (0;111) | ✗ | 05/01/17 |
| Ba(MnSb)2 | ICSD | 32019 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.002 | 0.868 | (0;111) | ✗ | 05/01/17 |
| Ba(MnSn)2 | ICSD | 58661 | I4/mmm (139) | ✔ | 5 | 68 | 3 | 0.0 | 0.003 | 0.733 | (0;000) | ✗ | 05/01/17 |
| BaMoO3 | ICSD | 43799 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.771 | (0;000) | ✗ | 05/01/17 |
| Ba(NiP)2 | ICSD | 85408 | I4/mmm (139) | ✔ | 5 | 40 | 2 | 0.0 | 0.013 | 0.833 | (1;111) | ✗ | 05/01/17 |
| BaOsO3 | ICSD | 237730 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.264 | 0.690 | (0;000) | ✗ | 05/01/17 |
| BaPbO3 | ICSD | 245606 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.123 | (1;000) | ✗ | 05/01/17 |
| BaPbO3 | ICSD | 51659 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.691 | (0;000) | ✗ | 05/01/17 |
| BaSnO3 | ICSD | 188149 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.9479 | 1.373 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaTiO3 | ICSD | 109327 | P4/mmm (123) | ✔ | 5 | 40 | 3 | 0.0 | 0.004 | 0.613 | (0;110) | ✗ | 05/01/17 |
| BaTiO3 | COD | 5910149 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 1.8554 | 1.915 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZrO3 | COD | 1532743 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.7993 | 2.799 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NiHg4 | ICSD | 151197 | Im-3m (229) | ✔ | 5 | 58 | 3 | 0.0 | 0.120 | 0.417 | (0;000) | ✗ | 27/01/17 |
| Ba(POs)2 | ICSD | 602106 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.013 | 0.559 | (1;111) | ✗ | 05/01/17 |
| Ba(PPd)2 | ICSD | 36375 | P4/mmm (123) | ✔ | 5 | 56 | 2 | 0.0 | 0.007 | 0.588 | (0;110) | ✗ | 05/01/17 |
| Ba(PRh)2 | ICSD | 50188 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.018 | 0.654 | (1;000) | ✗ | 05/01/17 |
| Ba(PRu)2 | ICSD | 602127 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.019 | 0.532 | (1;111) | ✗ | 05/01/17 |
| Ba(ZnP)2 | COD | 7221353 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.0 | 0.286 | 0.109 | (0;000) | ✗ | 05/01/17 |
| Ba(SbPd)2 | ICSD | 61197 | I4/mmm (139) | ✔ | 5 | 56 | 3 | 0.0 | 0.029 | 0.777 | (0;000) | ✗ | 05/01/17 |
| Hg4Pt | ICSD | 639148 | Im-3m (229) | ✔ | 5 | 58 | 3 | 0.0 | 0.659 | 0.309 | (0;000) | ✗ | 27/01/17 |
| Ba(ZnSi)2 | ICSD | 174269 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.005 | 0.274 | (1;000) | ✗ | 05/01/17 |
| Ca(BeP)2 | ICSD | 616191 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.8415 | 1.509 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Mg(BeP)2 | ICSD | 616328 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.5227 | 2.649 | 0.000 | (0;000) | ✗ | 05/01/17 |
| HfBRh3 | ICSD | 614447 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0451 | 0.109 | 0.000 | (0;111) | ✗ | 05/01/17 |
| Ca(MgBi)2 | COD | 7221203 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0171 | 0.017 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca(MnBi)2 | ICSD | 41791 | P-3m1 (164) | ✔ | 5 | 70 | 2 | 0.0 | 0.008 | 0.603 | (1;001) | ✗ | 05/01/17 |
| Sr(MgBi)2 | ICSD | 616807 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0348 | 0.035 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Mg3Bi2 | ICSD | 659569 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0 | 0.173 | 0.176 | (1;000) | ✗ | 05/01/17 |
| Bi2SeO2 | ICSD | 411143 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.2634 | 1.044 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Bi2TeSe2 | COD | 9004849 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.1758 | 0.318 | 0.000 | (1;000) | ✗ | 05/01/17 |
| Bi2Se3 | COD | 9011965 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2711 | 0.347 | 0.000 | (1;000) | ✗ | 05/01/17 |
| Bi2Te2Se | ICSD | 43512 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2809 | 0.290 | 0.000 | (1;000) | ✗ | 05/01/17 |
| Bi2Te2S | COD | 9008043 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2724 | 0.346 | 0.000 | (1;000) | ✗ | 05/01/17 |
| Bi2Te3 | COD | 9011962 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.1253 | 0.128 | 0.000 | (1;000) | ✗ | 05/01/17 |
| La2O3 | ICSD | 56166 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 3.0056 | 3.250 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3BiN | COD | 1527230 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.025 | 0.025 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2CN2 | COD | 4031435 | I4/mmm (139) | ✔ | 5 | 20 | 1 | 3.7439 | 3.744 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ni4Mo | ICSD | 105047 | I4/m (87) | ✔ | 5 | 54 | 3 | 0.0 | 0.001 | 0.721 | (1;000) | ✗ | 06/10/16 |
| OsO4 | ICSD | 24672 | C2 (5) | ✗ | 5 | 40 | 1 | 4.2187 | 4.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sc3BPb | COD | 1511293 | Pm-3m (221) | ✔ | 5 | 50 | 3 | 0.0 | 0.000 | 0.106 | (1;000) | ✗ | 27/01/17 |
| CsCaBr3 | ICSD | 77242 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 4.484 | 4.646 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsCdBr3 | COD | 1010122 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.8231 | 1.294 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsGeBr3 | ICSD | 80320 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.0 | 0.090 | 0.026 | (1;111) | ✗ | 27/01/17 |
| CsSnBr3 | ICSD | 4071 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0133 | 0.013 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsHgBr3 | COD | 1010118 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.157 | (1;000) | ✗ | 27/01/17 |
| ZrBRh3 | ICSD | 615353 | Pm-3m (221) | ✔ | 5 | 58 | 3 | 0.0 | 0.000 | 0.110 | (0;111) | ✗ | 27/01/17 |
| K3BrO | ICSD | 33920 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.9272 | 0.927 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li3BrO | ICSD | 67265 | Pm-3m (221) | ✔ | 5 | 22 | 1 | 4.0589 | 4.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3ClO | COD | 9007768 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 2.1182 | 2.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb3BrO | ICSD | 77196 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.4411 | 0.441 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KIO3 | ICSD | 28545 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.0 | 0.091 | 0.116 | (1;111) | ✗ | 30/01/17 |
| KIO3 | ICSD | 97995 | R3m (160) | ✗ | 5 | 34 | 1 | 2.7686 | 2.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sc3SnB | COD | 1511324 | Pm-3m (221) | ✔ | 5 | 50 | 3 | 0.0 | 0.000 | 0.112 | (1;000) | ✗ | 27/01/17 |
| Mg(AlC)2 | COD | 4030910 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 1.602 | 2.609 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ni4W | ICSD | 105452 | I4/m (87) | ✔ | 5 | 54 | 3 | 0.0 | 0.023 | 0.698 | (1;000) | ✗ | 06/10/16 |
| Ta4O | ICSD | 76022 | Pmmm (47) | ✔ | 5 | 58 | 3 | 0.0 | 0.040 | 0.441 | (0;111) | ✗ | 27/01/17 |
| 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 |
| TlIO3 | ICSD | 76967 | Pm-3m (221) | ✔ | 5 | 38 | 3 | 0.0 | 0.292 | 0.119 | (1;111) | ✗ | 30/01/17 |
| Cs2PdC2 | COD | 1526416 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.5635 | 1.637 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2PtC2 | COD | 1526418 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.8218 | 0.869 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PdC2 | ICSD | 421490 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.4251 | 1.457 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PtC2 | ICSD | 421491 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.7799 | 0.813 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2TeC2 | COD | 7220792 | P-3m1 (164) | ✔ | 5 | 20 | 1 | 0.0 | 0.036 | 0.234 | (0;000) | ✗ | 27/01/17 |