Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| RbClO2 | ICSD | 162802 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3666 | 2.928 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2TiOF6 | COD | 1000341 | Cc (9) | ✗ | 20 | 160 | 1 | 4.1131 | 4.113 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2InGaO5 | ICSD | 248616 | Ima2 (46) | ✗ | 18 | 152 | 3 | 1.595 | 1.595 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2H3I | ICSD | 423520 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 2.5457 | 2.546 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2In2O5 | COD | 1521023 | Ima2 (46) | ✗ | 18 | 152 | 3 | 1.0151 | 1.015 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2NaIO6 | ICSD | 425446 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 1.7866 | 1.787 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2InSbSe5 | ICSD | 425179 | Cmc2_1 (36) | ✗ | 18 | 136 | 1 | 0.7314 | 1.193 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2YInSe5 | ICSD | 262888 | Cmc2_1 (36) | ✗ | 18 | 148 | 1 | 1.1362 | 1.136 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2YInTe5 | ICSD | 248944 | Cmc2_1 (36) | ✗ | 18 | 148 | 1 | 0.5214 | 0.522 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba2S3 | ICSD | 70058 | I4_1md (109) | ✗ | 10 | 76 | 1 | 0.7201 | 0.736 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba3In2Br2O5 | COD | 2002540 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.5364 | 2.122 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba3Tl2Cl2O5 | COD | 1001756 | I4/mmm (139) | ✔ | 12 | 100 | 1 | 0.0 | 0.373 | 0.351 | (0;000) | ✗ | 21/03/17 |
| BaS2 | ICSD | 2004 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5522 | 1.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba3In2O5F2 | ICSD | 80215 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.7992 | 2.648 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba3In2O6 | COD | 2002418 | I4/mmm (139) | ✔ | 11 | 92 | 2 | 0.9533 | 1.427 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba3Y4O9 | ICSD | 87118 | R3 (146) | ✗ | 16 | 128 | 3 | 3.2201 | 3.222 | 0.000 | (0;000) | ✗ | 21/03/17 |
| AgCl | ICSD | 56544 | Ccmm (63) | ✔ | 4 | 36 | 3 | 0.6341 | 1.745 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba4Hf3S10 | ICSD | 602359 | I4/mmm (139) | ✔ | 17 | 136 | 2 | 0.4422 | 0.854 | 0.000 | (0;000) | ✗ | 21/03/17 |
| ZnTe | ICSD | 184491 | Ccmm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.075 | 0.278 | (0;000) | ✗ | 06/10/16 |
| Ba4Zr3S10 | ICSD | 72656 | I4/mmm (139) | ✔ | 17 | 112 | 2 | 0.1499 | 0.382 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba8Sb4H2O | ICSD | 415034 | I4/mmm (139) | ✔ | 15 | 108 | 1 | 0.3874 | 0.387 | 0.000 | (0;000) | ✗ | 21/03/17 |
| O2 | ICSD | 37059 | Fmmm (69) | ✔ | 2 | 12 | 1 | 0.0 | 0.030 | 0.606 | (0;000) | ✗ | 27/01/17 |
| RbCdF3 | ICSD | 49587 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.215 | 4.812 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrN6 | ICSD | 35226 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.6409 | 3.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdPdF6 | ICSD | 26166 | R-3 (148) | ✔ | 8 | 72 | 3 | 1.0151 | 1.046 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaBi4(IO2)2 | ICSD | 63367 | I4/mmm (139) | ✔ | 11 | 108 | 1 | 0.0 | 0.015 | 0.963 | (0;000) | ✗ | 21/03/17 |
| PbS | ICSD | 648451 | Pnma (62) | ✔ | 8 | 80 | 3 | 1.2827 | 1.314 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba(BrO3)2 | ICSD | 40287 | Fdd2 (43) | ✗ | 18 | 120 | 1 | 4.3085 | 4.319 | 0.000 | (0;000) | ✗ | 21/03/17 |
| P | ICSD | 647901 | R-3m (166) | ✔ | 2 | 10 | 1 | 0.0 | 0.027 | 0.163 | (0;000) | ✗ | 27/01/17 |
| ZrTe | ICSD | 280620 | Pmnb (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.014 | 0.144 | (0;000) | ✗ | 06/10/16 |
| Na2NiO2 | ICSD | 14159 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.9652 | 1.341 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeI2 | ICSD | 23176 | P-3m1 (164) | ✔ | 9 | 54 | 2 | 1.3784 | 1.659 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfI4 | ICSD | 200826 | C2/c (15) | ✔ | 20 | 160 | 2 | 1.8004 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2SiO3 | ICSD | 15388 | Cmc2_1 (36) | ✗ | 12 | 80 | 1 | 4.0781 | 4.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SnI2 | ICSD | 2831 | C2/m (12) | ✔ | 9 | 84 | 3 | 1.373 | 1.650 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ir | ICSD | 201258 | Pmma (51) | ✔ | 2 | 34 | 1 | 0.0 | 0.000 | 0.997 | (0;000) | ✗ | 02/02/17 |
| K2BaCdSb2 | ICSD | 422272 | Pmc2_1 (26) | ✗ | 12 | 100 | 1 | 0.1098 | 0.117 | 0.000 | (0;000) | ✔ | 21/03/17 |
| Ba(ClO3)2 | ICSD | 40285 | Fdd2 (43) | ✗ | 18 | 120 | 1 | 5.5421 | 5.639 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaFeCuF7 | COD | 1000216 | Cc (9) | ✗ | 20 | 156 | 3 | 0.0 | 0.009 | 0.016 | (0;000) | ✔ | 21/03/17 |
| AgI | ICSD | 28230 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 1.0238 | 1.024 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Te2W | ICSD | 653170 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.5587 | 0.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaGeO3 | ICSD | 23925 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.833 | 3.835 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaSn2(HO2)2 | ICSD | 37115 | P2_1 (4) | ✗ | 18 | 128 | 1 | 1.9107 | 2.108 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Na2SiO3 | ICSD | 24664 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 4.1761 | 4.502 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2SiO3 | ICSD | 74640 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 4.2212 | 4.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaHgS2 | COD | 4342638 | Pmc2_1 (26) | ✗ | 16 | 136 | 2 | 1.2035 | 1.237 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaHI | COD | 9009160 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.2911 | 2.291 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaI2 | ICSD | 36210 | P-62m (189) | ✗ | 9 | 72 | 1 | 2.639 | 2.639 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaPd(IO3)4 | COD | 4316840 | P1 (1) | ✗ | 18 | 128 | 1 | 1.911 | 1.964 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Na2PdS2 | ICSD | 76533 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.9578 | 1.378 | 0.000 | (0;000) | ✗ | 06/10/16 |