▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaSO2 | COD | 1524206 | Pnma (62) | ✔ | 16 | 112 | 1 | 0.999 | 1.033 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaWO2 | COD | 5910071 | I4_1/a (88) | ✔ | 16 | 144 | 3 | 0.0 | 0.017 | 0.346 | (1;111) | ✗ | 02/02/17 |
BaRhO3 | COD | 1527219 | P6_3/mmc (194) | ✔ | 20 | 180 | 3 | 0.0 | 0.002 | 0.877 | (1;000) | ✗ | 02/02/17 |
BaRuO3 | ICSD | 84652 | P6_3/mmc (194) | ✔ | 20 | 176 | 3 | 0.0 | 0.006 | 0.695 | (0;000) | ✗ | 02/02/17 |
BaRuO3 | COD | 1528493 | R-3m (166) | ✔ | 15 | 132 | 3 | 0.0 | 0.014 | 0.310 | (0;111) | ✗ | 02/02/17 |
BaY2PdO5 | COD | 1000242 | P4/mbm (127) | ✔ | 18 | 160 | 3 | 2.2474 | 2.377 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPd(SeO3)2 | ICSD | 423571 | C2/c (15) | ✔ | 20 | 152 | 1 | 1.5909 | 1.856 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(TeO3)2 | ICSD | 8017 | Cmcm (63) | ✔ | 18 | 116 | 2 | 2.1918 | 2.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(Sb3Os)4 | ICSD | 658736 | Im3 (204) | ✔ | 17 | 134 | 3 | 0.0 | 0.015 | 0.642 | (0;000) | ✗ | 02/02/17 |
BaP8 | ICSD | 96544 | P-1 (2) | ✔ | 18 | 100 | 1 | 0.7672 | 1.147 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPb3 | ICSD | 419973 | R-3m (166) | ✔ | 12 | 156 | 3 | 0.0 | 0.011 | 0.473 | (1;000) | ✗ | 02/02/17 |
Ba(PdS2)2 | ICSD | 79930 | P2_1/m (11) | ✔ | 14 | 140 | 3 | 0.8771 | 1.024 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(SbPd)2 | ICSD | 604350 | P4/nmm (129) | ✔ | 10 | 112 | 3 | 0.0 | 0.005 | 0.787 | (0;000) | ✗ | 02/02/17 |
BaPd | COD | 9016560 | C2/c (15) | ✔ | 4 | 56 | 1 | 0.0 | 0.010 | 0.519 | (1;000) | ✗ | 02/02/17 |
BaPdS2 | ICSD | 63588 | Cmcm (63) | ✔ | 8 | 80 | 1 | 0.2276 | 0.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSb2Pd | ICSD | 405111 | Cmcm (63) | ✔ | 8 | 76 | 3 | 0.0 | 0.005 | 0.512 | (1;000) | ✗ | 02/02/17 |
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 |
BiI3 | ICSD | 78791 | R-3 (148) | ✔ | 8 | 72 | 2 | 1.2702 | 1.298 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(SiRh)2 | ICSD | 50158 | P2_1/c (14) | ✔ | 20 | 208 | 3 | 0.0 | 0.014 | 0.425 | (1;001) | ✗ | 02/02/17 |
Ba(Sb3Ru)4 | ICSD | 616049 | Im3 (204) | ✔ | 17 | 134 | 3 | 0.0 | 0.022 | 0.455 | (0;000) | ✗ | 02/02/17 |
BaSnS2 | ICSD | 2587 | P2_1/c (14) | ✔ | 16 | 144 | 1 | 1.7505 | 1.836 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSnS3 | ICSD | 616071 | Pnma (62) | ✔ | 20 | 168 | 2 | 0.9252 | 1.180 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTaS3 | COD | 4343774 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.573 | (0;000) | ✗ | 02/02/17 |
BaTeS3 | ICSD | 8 | Pnma (62) | ✔ | 20 | 136 | 1 | 1.8106 | 2.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTiS3 | COD | 2310546 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.019 | 0.133 | (0;000) | ✗ | 02/02/17 |
BaVS3 | COD | 1008062 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.424 | (0;000) | ✗ | 02/02/17 |
BaVS3 | COD | 1008377 | P6_3/mmc (194) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.675 | (1;000) | ✗ | 02/02/17 |
BaZrS3 | ICSD | 616104 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.796 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSb2 | ICSD | 413519 | P2_1/m (11) | ✔ | 18 | 120 | 1 | 0.0 | 0.040 | 0.156 | (0;010) | ✗ | 02/02/17 |
BaSb2 | COD | 8100903 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.056 | 0.102 | (0;010) | ✗ | 02/02/17 |
Ba(ZnSb)2 | ICSD | 32020 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.015 | 0.060 | (0;000) | ✗ | 02/02/17 |
BaTaSe3 | ICSD | 659547 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.422 | (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 |
BaVSe3 | COD | 1521756 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.358 | (0;000) | ✗ | 02/02/17 |
BaZrSe3 | ICSD | 616136 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 0.0 | 0.005 | 0.254 | (0;000) | ✗ | 02/02/17 |
BaSi6 | COD | 8103027 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.004 | 0.931 | (0;110) | ✗ | 02/02/17 |
Ba(ZnSn)2 | ICSD | 25339 | P4/nmm (129) | ✔ | 10 | 124 | 3 | 0.0 | 0.019 | 0.428 | (1;000) | ✗ | 02/02/17 |
BaSn3 | COD | 1508415 | P6_3/mmc (194) | ✔ | 8 | 104 | 1 | 0.0 | 0.005 | 0.754 | (0;000) | ✗ | 02/02/17 |
BaS | COD | 9016579 | Pnma (62) | ✔ | 8 | 64 | 1 | 1.0583 | 1.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTe2 | ICSD | 80280 | I4/mcm (140) | ✔ | 6 | 44 | 1 | 0.3666 | 1.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaZn5 | ICSD | 616174 | Cmcm (63) | ✔ | 12 | 140 | 3 | 0.0 | 0.005 | 0.532 | (1;110) | ✗ | 02/02/17 |
Ba3BPO3 | ICSD | 402017 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 1.4131 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBiBS4 | COD | 4316058 | C2/m (12) | ✔ | 14 | 104 | 1 | 1.6965 | 1.890 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaGaBO3F2 | ICSD | 91315 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.2302 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiBO3 | COD | 7209481 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.9857 | 2.986 | 0.000 | (0;000) | ✗ | 02/02/17 |
BBr3 | COD | 1511460 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.5808 | 3.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc7BCl12 | COD | 1511042 | R-3 (148) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.743 | (0;000) | ✗ | 02/02/17 |
KZnB(H2Cl)2 | ICSD | 174294 | P2_1/m (11) | ✔ | 18 | 84 | 1 | 4.9323 | 4.932 | 0.000 | (0;000) | ✗ | 02/02/17 |
BCl3 | COD | 1511049 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.2405 | 3.349 | 0.000 | (0;000) | ✗ | 02/02/17 |