Plotting...
| ▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TaSe2 | COD | 1521538 | P6_3/mmc (194) | ✔ | 12 | 100 | 2 | 0.0 | 0.013 | 0.869 | (0;000) | ✗ | 02/02/17 |
| RuSe2 | COD | 9012406 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.4043 | 0.707 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlRe | COD | 9015220 | Imma (74) | ✔ | 4 | 56 | 1 | 0.0 | 0.002 | 0.224 | (0;000) | ✗ | 02/02/17 |
| Sn7Ru3 | COD | 2200583 | Im-3m (229) | ✔ | 20 | 292 | 3 | 0.0 | 0.000 | 0.394 | (1;111) | ✗ | 02/02/17 |
| ZnSb | COD | 9008882 | Pbca (61) | ✔ | 16 | 136 | 3 | 0.0 | 0.431 | 0.011 | (0;000) | ✗ | 02/02/17 |
| ZrSnS3 | COD | 2001131 | Pnma (62) | ✔ | 20 | 144 | 2 | 0.8146 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2Sb | COD | 9008353 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.013 | 0.055 | (0;111) | ✗ | 02/02/17 |
| CO2 | COD | 9015590 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 5.8337 | 5.985 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2InAu | COD | 1510190 | F-43m (216) | ✗ | 4 | 30 | 3 | 0.0 | 0.000 | 0.860 | ? | ✗ | 15/02/17 |
| FeAgS2 | COD | 1509337 | I-42d (122) | ✗ | 8 | 62 | 3 | 0.0 | 0.000 | 0.737 | ? | ✗ | 15/02/17 |
| Sr2Sn | COD | 1528200 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.1881 | 0.188 | 0.000 | (0;000) | ✗ | 02/02/17 |
| VSn2 | COD | 1528218 | Fddd (70) | ✔ | 12 | 164 | 3 | 0.0 | 0.010 | 0.598 | (1;111) | ✗ | 02/02/17 |
| SrSn4 | COD | 4312755 | Cmcm (63) | ✔ | 10 | 132 | 3 | 0.0 | 0.023 | 0.533 | (1;110) | ✗ | 02/02/17 |
| AgClO4 | COD | 1010574 | F-43m (216) | ✗ | 6 | 42 | 1 | 2.4263 | 2.431 | 0.000 | (0;000) | ✗ | 15/02/17 |
| YZn3 | COD | 2106397 | Pnma (62) | ✔ | 16 | 188 | 3 | 0.0 | 0.000 | 0.763 | (1;011) | ✗ | 02/02/17 |
| CdAgSb | COD | 1509176 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.000 | 0.392 | (0;000) | ✔ | 15/02/17 |
| Li2GaAu | COD | 1510151 | F-43m (216) | ✗ | 4 | 30 | 3 | 0.0 | 0.116 | 0.858 | ? | ✗ | 15/02/17 |
| KAlSiO6 | COD | 9009725 | P6_3 (173) | ✗ | 18 | 104 | 3 | 0.0 | 0.041 | 0.008 | (0;000) | ✔ | 15/02/17 |
| Li2AgSb | COD | 1509445 | F-43m (216) | ✗ | 4 | 22 | 3 | 0.0583 | 0.058 | 0.000 | (0;000) | ✔ | 15/02/17 |
| AlHO2 | COD | 2211226 | Pmn2_1 (31) | ✗ | 8 | 32 | 3 | 5.4848 | 5.593 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdSbAu | COD | 1510079 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.000 | 0.356 | (0;000) | ✔ | 15/02/17 |
| LiAlTe2 | COD | 4321120 | P3m1 (156) | ✗ | 4 | 18 | 1 | 0.0 | 0.021 | 0.162 | (0;000) | ✔ | 15/02/17 |
| CaSnAu | COD | 2019618 | Imm2 (44) | ✗ | 6 | 70 | 3 | 0.0 | 0.035 | 0.553 | ? | ✗ | 15/02/17 |
| CO2 | COD | 9014868 | P3_221 (154) | ✗ | 9 | 48 | 3 | 6.8671 | 7.441 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H4C9OF4 | COD | 7204880 | P1 (1) | ✗ | 18 | 74 | 1 | 3.4283 | 3.555 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6N | COD | 4116439 | Pmn2_1 (31) | ✗ | 16 | 28 | 1 | 5.5448 | 5.545 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaCa(GaO2)4 | COD | 2008101 | Imm2 (44) | ✗ | 14 | 120 | 3 | 3.2657 | 3.266 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbBH4 | COD | 4315655 | I-42m (121) | ✗ | 12 | 32 | 1 | 5.4855 | 5.531 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiH5C5N2O5 | COD | 2200233 | P1 (1) | ✗ | 18 | 68 | 1 | 2.9567 | 3.022 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H3C2N | COD | 1504384 | Cmc2_1 (36) | ✗ | 12 | 32 | 1 | 7.2799 | 7.387 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H3C5I2N | COD | 2012993 | Fmm2 (42) | ✗ | 11 | 42 | 1 | 3.0403 | 3.220 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaCNO | COD | 1010310 | R3m (160) | ✗ | 4 | 24 | 1 | 4.1504 | 4.294 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H4CN2O | COD | 1008785 | P-42_1m (113) | ✗ | 16 | 48 | 1 | 5.1508 | 5.151 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdClO | COD | 9016472 | P6_3mc (186) | ✗ | 6 | 50 | 2 | 0.0 | 0.000 | 0.749 | ? | ✗ | 15/02/17 |
| H2CN4 | COD | 2006099 | P1 (1) | ✗ | 7 | 26 | 1 | 4.8806 | 5.045 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TlClO4 | COD | 1010570 | F-43m (216) | ✗ | 6 | 44 | 1 | 1.3448 | 1.345 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HCl | COD | 9016437 | Cmc2_1 (36) | ✗ | 4 | 16 | 1 | 5.8258 | 5.826 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbClO4 | COD | 1010571 | F-43m (216) | ✗ | 6 | 40 | 1 | 1.1696 | 1.170 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sc3B2Rh5 | COD | 1510816 | P4/mbm (127) | ✔ | 20 | 248 | 3 | 0.0 | 0.002 | 0.496 | (1;000) | ✗ | 21/03/17 |
| CS2 | COD | 9015270 | P3_221 (154) | ✗ | 9 | 48 | 3 | 0.0 | 0.007 | 0.167 | (0;000) | ✔ | 15/03/17 |
| KNaSO4 | COD | 9007638 | P3m1 (156) | ✗ | 14 | 96 | 1 | 5.0638 | 5.136 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na3SO4F | COD | 9000296 | R3m (160) | ✗ | 9 | 64 | 3 | 3.735 | 3.735 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HfCuP | COD | 4031203 | P3m1 (156) | ✗ | 3 | 28 | 3 | 0.0 | 0.001 | 0.057 | (1;100) | ✔ | 15/02/17 |
| FeCu2SnS4 | COD | 1011151 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.001 | 0.361 | (1;111) | ✔ | 15/02/17 |
| Hf2CuSb3 | COD | 1526691 | P-4m2 (115) | ✗ | 6 | 50 | 3 | 0.0 | 0.003 | 0.820 | ? | ✗ | 15/02/17 |
| H4NF | COD | 2106401 | P6_3mc (186) | ✗ | 12 | 32 | 1 | 5.8885 | 5.974 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RhF3 | COD | 1010417 | P321 (150) | ✗ | 12 | 114 | 2 | 0.0331 | 0.052 | 0.000 | (0;000) | ✔ | 15/02/17 |
| TiFeSn | COD | 1527700 | F-43m (216) | ✗ | 3 | 34 | 3 | 0.0 | 0.000 | 0.622 | ? | ✗ | 15/02/17 |
| MnSnIr | COD | 1522487 | F-43m (216) | ✗ | 3 | 46 | 3 | 0.0 | 0.000 | 0.947 | ? | ✗ | 15/02/17 |
| Li2ZnGe | COD | 1528672 | F-43m (216) | ✗ | 4 | 22 | 3 | 0.0 | 0.419 | 0.069 | (0;000) | ✔ | 15/02/17 |
| LiGaSi | COD | 1522611 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.0 | 0.272 | 0.020 | (0;000) | ✔ | 15/02/17 |
| Ge4PbO9 | COD | 1530751 | C2 (5) | ✗ | 14 | 84 | 3 | 3.188 | 3.292 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2O2 | COD | 9014214 | P4_12_12 (92) | ✗ | 16 | 56 | 1 | 4.7599 | 4.772 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Mg3Si2(H2O3)3 | COD | 9001778 | P31m (157) | ✗ | 20 | 98 | 2 | 1.899 | 2.582 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiHS | COD | 1532755 | Pmc2_1 (26) | ✗ | 12 | 40 | 1 | 3.5171 | 3.517 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CoF3 | COD | 1010416 | P321 (150) | ✗ | 12 | 114 | 2 | 0.0 | 0.017 | 0.014 | (0;000) | ✔ | 15/03/17 |
| SiO2 | COD | 9006293 | P1 (1) | ✗ | 12 | 64 | 3 | 5.6723 | 5.719 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Si3N4 | COD | 1524456 | P6_3 (173) | ✗ | 14 | 64 | 3 | 1.4143 | 1.914 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MgSiN2 | COD | 1520911 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 4.1594 | 4.589 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MoPO5 | COD | 4000897 | Cc (9) | ✗ | 14 | 98 | 3 | 0.0 | 0.000 | 0.629 | ? | ✗ | 15/02/17 |
| SiO2 | COD | 9006290 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.6102 | 5.610 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZrZnNi4 | COD | 1523279 | F-43m (216) | ✗ | 6 | 56 | 3 | 0.0 | 0.000 | 0.408 | ? | ✗ | 15/02/17 |
| SiO2 | COD | 9006286 | Pna2_1 (33) | ✗ | 12 | 64 | 3 | 5.693 | 5.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Be | COD | 9013111 | P2_12_12 (18) | ✗ | 4 | 16 | 1 | 0.0 | 0.006 | 0.146 | (0;000) | ✔ | 15/03/17 |
| ZrO2 | COD | 9009919 | Pca2_1 (29) | ✗ | 12 | 64 | 3 | 3.5103 | 3.622 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006301 | I2_12_12_1 (24) | ✗ | 12 | 64 | 3 | 5.4633 | 5.532 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TeO2 | COD | 1520934 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 3.0222 | 3.190 | 0.000 | (0;000) | ✗ | 15/02/17 |
| YPbAu | COD | 1510271 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.000 | 0.105 | (1;000) | ✔ | 15/03/17 |
| TiSnPt | COD | 1522660 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.7164 | 1.396 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Te | COD | 1011098 | P3_121 (152) | ✗ | 3 | 18 | 3 | 0.0 | 0.000 | 0.016 | (0;000) | ✔ | 15/02/17 |
| B2Pd5 | COD | 1525620 | C2/c (15) | ✔ | 14 | 192 | 3 | 0.0 | 0.040 | 0.428 | (1;000) | ✗ | 21/03/17 |
| As2SO6 | COD | 9012888 | P2_12_12 (18) | ✗ | 18 | 104 | 2 | 4.374 | 4.378 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Tl2AgI3 | COD | 1509393 | R-3 (148) | ✔ | 18 | 174 | 3 | 0.1594 | 0.009 | 1.000 | (1;001) | ✗ | 16/03/17 |
| Ag3P11 | COD | 4331410 | Cm (8) | ✗ | 14 | 88 | 1 | 0.7858 | 1.147 | 0.000 | (0;000) | ✗ | 16/03/17 |
| FeAg2SnS4 | COD | 1008963 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.010 | 0.290 | (1;111) | ✔ | 16/03/17 |
| Ca5Ag3 | COD | 1509954 | I4/mcm (140) | ✔ | 16 | 166 | 1 | 0.0 | 0.001 | 0.709 | (1;000) | ✗ | 16/03/17 |
| CsAg(NO3)2 | COD | 2008257 | C2/m (12) | ✔ | 20 | 132 | 1 | 2.7484 | 2.769 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AlAgO2 | COD | 1509215 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 0.784 | 0.922 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CrAg(PS3)2 | COD | 1000192 | P2/c (13) | ✔ | 20 | 142 | 2 | 0.0 | 0.000 | 0.260 | (0;000) | ✗ | 16/03/17 |
| As2O3 | COD | 4513294 | P2_1 (4) | ✗ | 20 | 112 | 3 | 2.5456 | 2.777 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaAl2O4 | COD | 1010039 | P6_322 (182) | ✗ | 14 | 80 | 3 | 3.8461 | 4.116 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AgI | COD | 1509385 | Pm-3m (221) | ✔ | 2 | 18 | 1 | 0.0 | 0.256 | 0.053 | (0;000) | ✗ | 16/03/17 |
| SrAg | COD | 2105352 | Pnma (62) | ✔ | 16 | 168 | 1 | 0.0 | 0.002 | 0.669 | (0;000) | ✗ | 16/03/17 |
| AlPO4 | COD | 9006415 | P6_222 (180) | ✗ | 18 | 96 | 3 | 5.9031 | 5.917 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AlCuBr4 | COD | 4322712 | P-42c (112) | ✗ | 12 | 84 | 3 | 2.2424 | 2.363 | 0.000 | (0;000) | ✗ | 16/03/17 |
| LiAlSe2 | COD | 4321118 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.1395 | 3.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
| SiB2Mo5 | COD | 1510768 | I4/mcm (140) | ✔ | 16 | 160 | 3 | 0.0 | 0.028 | 0.696 | (1;000) | ✗ | 21/03/17 |
| Ca5Au3 | COD | 1510483 | I4/mcm (140) | ✔ | 16 | 166 | 1 | 0.0 | 0.000 | 0.606 | (0;111) | ✗ | 21/03/17 |
| Ca3AsN | COD | 1005008 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.8756 | 0.876 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbCd4As3 | COD | 4326073 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.088 | 0.015 | (0;111) | ✗ | 21/03/17 |
| AsBr3 | COD | 1010147 | P2_12_12_1 (19) | ✗ | 16 | 104 | 1 | 2.8654 | 2.924 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Sr5(AuO4)2 | COD | 2002552 | F222 (22) | ✗ | 15 | 120 | 3 | 0.8956 | 0.898 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SbAsO3 | COD | 9015432 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 0.0 | 3.554 | 1.000 | (0;000) | ✗ | 21/03/17 |
| Sr(InAu)2 | COD | 4308152 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.009 | 0.886 | (0;000) | ✗ | 21/03/17 |
| K3Nb3(BO6)2 | COD | 1001007 | P31m (157) | ✗ | 20 | 144 | 3 | 2.121 | 2.252 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs7Au5O2 | COD | 1510553 | Immm (71) | ✔ | 14 | 130 | 3 | 1.2515 | 1.352 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Sr7Au3 | COD | 1510514 | P6_3mc (186) | ✗ | 20 | 206 | 1 | 0.0 | 0.000 | 0.862 | ? | ✗ | 21/03/17 |
| ZrAu4 | COD | 1510544 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.0 | 0.026 | 0.766 | (1;000) | ✗ | 21/03/17 |
| CsNb(BO3)2 | COD | 2003948 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.5447 | 3.717 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs4Au6S5 | COD | 1510578 | P31m (157) | ✗ | 15 | 132 | 2 | 2.2096 | 2.241 | 0.000 | (0;000) | ✗ | 21/03/17 |