▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sr2ScSbO6 | ICSD | 262994 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 3.7678 | 3.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2YSbO6 | ICSD | 154033 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 4.0722 | 4.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sn(SeO3)2 | ICSD | 154717 | P2_1/c (14) | ✔ | 18 | 124 | 3 | 3.5691 | 3.902 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2YTaO6 | COD | 2100266 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 3.9094 | 3.944 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2ZnWO6 | ICSD | 190595 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 2.9052 | 3.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Se3 | ICSD | 14093 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7189 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrP2O7 | COD | 2102118 | Pnnm (58) | ✔ | 20 | 112 | 3 | 4.355 | 4.355 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta2SnO7 | COD | 9000194 | C2/c (15) | ✔ | 20 | 164 | 3 | 0.5845 | 0.624 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta2O7 | COD | 9014281 | Fd-3m (227) | ✔ | 18 | 136 | 3 | 0.0 | 0.000 | 0.488 | (0;000) | ✗ | 02/02/17 |
Tl4V2O7 | ICSD | 72810 | P-3m1 (164) | ✔ | 13 | 120 | 2 | 2.3238 | 2.339 | 0.000 | (0;000) | ✗ | 02/02/17 |
W2O7 | COD | 9014038 | Fd-3m (227) | ✔ | 18 | 140 | 3 | 0.0 | 0.000 | 0.848 | (0;000) | ✗ | 02/02/17 |
Sb2S2O | COD | 9012422 | P-1 (2) | ✔ | 20 | 112 | 2 | 0.0 | 1.072 | 1.000 | (0;000) | ✗ | 02/02/17 |
Y2S2O | COD | 4030480 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 2.5291 | 2.592 | 0.000 | (0;000) | ✗ | 02/02/17 |
YOs2 | ICSD | 150518 | P6_3/mmc (194) | ✔ | 12 | 172 | 3 | 0.0 | 0.002 | 0.921 | (0;000) | ✗ | 02/02/17 |
H6C3O | COD | 7110463 | Cmcm (63) | ✔ | 20 | 48 | 1 | 3.687 | 3.820 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(Sb3Os)4 | ICSD | 658734 | Im3 (204) | ✔ | 17 | 134 | 3 | 0.0 | 0.014 | 0.624 | (0;000) | ✗ | 02/02/17 |
LiCa2HC3 | ICSD | 261184 | P4/mbm (127) | ✔ | 14 | 72 | 1 | 1.2698 | 1.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr3SiO | ICSD | 413384 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.2124 | 0.212 | 0.000 | (0;000) | ✗ | 02/02/17 |
P4Os | ICSD | 647710 | P-1 (2) | ✔ | 15 | 108 | 2 | 1.3925 | 1.534 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbOsSe | ICSD | 647759 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.548 | 0.761 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbTeOs | ICSD | 647762 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5002 | 0.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
OsSe2 | COD | 9012407 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0681 | 0.199 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbOsS | ICSD | 647751 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.4054 | 0.748 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg2C3 | ICSD | 71941 | Pnnm (58) | ✔ | 10 | 64 | 3 | 1.6804 | 2.671 | 0.000 | (0;000) | ✗ | 27/01/17 |
C3N4 | ICSD | 41950 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 3.2842 | 3.578 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al8Mo3 | ICSD | 58001 | C2/m (12) | ✔ | 11 | 66 | 3 | 0.0 | 0.000 | 0.060 | (0;000) | ✔ | 04/10/16 |
P2Pd15 | COD | 1527081 | R-3 (148) | ✔ | 17 | 280 | 3 | 0.0 | 0.001 | 0.539 | (0;000) | ✗ | 02/02/17 |
P2Pd3S8 | COD | 1527147 | P-3m1 (164) | ✔ | 13 | 112 | 3 | 1.0522 | 1.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb(CO)3 | COD | 7051226 | C2/m (12) | ✔ | 14 | 78 | 1 | 1.0399 | 1.080 | 0.000 | (0;000) | ✗ | 27/01/17 |
P2S3 | ICSD | 423037 | P2_1/m (11) | ✔ | 20 | 112 | 1 | 2.2148 | 2.293 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2S7 | ICSD | 423062 | P-1 (2) | ✔ | 18 | 104 | 1 | 1.8252 | 1.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbS | ICSD | 183240 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.2082 | 1.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2P3 | ICSD | 654296 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.7411 | 0.741 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te2Os | COD | 5910143 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.724 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
ReP3 | ICSD | 647985 | Pnma (62) | ✔ | 16 | 120 | 2 | 0.0531 | 0.109 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg(C2F3)2 | ICSD | 165635 | P-1 (2) | ✔ | 11 | 70 | 1 | 3.4881 | 3.797 | 0.000 | (0;000) | ✗ | 27/01/17 |
P3Ru | ICSD | 62420 | P-1 (2) | ✔ | 16 | 124 | 3 | 1.1482 | 1.201 | 0.000 | (0;000) | ✗ | 02/02/17 |
P4Ru | ICSD | 2492 | P-1 (2) | ✔ | 15 | 108 | 2 | 1.2877 | 1.485 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te2Pd3Pb2 | COD | 9013781 | Pmmn (59) | ✔ | 14 | 188 | 3 | 0.0 | 0.011 | 0.314 | (0;000) | ✗ | 02/02/17 |
SrP3 | ICSD | 23628 | C2/m (12) | ✔ | 16 | 100 | 1 | 0.3599 | 0.360 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr5SbPb3 | ICSD | 604080 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.567 | (0;000) | ✗ | 02/02/17 |
Sc5Pb3 | COD | 2310215 | P6_3/mcm (193) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 02/02/17 |
Zr5Pb3Se | ICSD | 604205 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.001 | 0.248 | (0;000) | ✗ | 02/02/17 |
Zr5SiPb3 | ICSD | 604195 | P6_3/mcm (193) | ✔ | 18 | 132 | 3 | 0.0 | 0.001 | 0.630 | (0;000) | ✗ | 02/02/17 |
Zr5SnPb3 | ICSD | 604193 | P6_3/mcm (193) | ✔ | 18 | 152 | 3 | 0.0 | 0.002 | 0.652 | (0;000) | ✗ | 02/02/17 |
Sr2Pb3 | COD | 1518043 | P4/mbm (127) | ✔ | 10 | 124 | 2 | 0.0 | 0.043 | 0.538 | (0;000) | ✗ | 02/02/17 |
Sr5Pb3 | ICSD | 648568 | I4/mcm (140) | ✔ | 16 | 184 | 1 | 0.0 | 0.029 | 0.622 | (0;000) | ✗ | 02/02/17 |
Zr5Pb3S | ICSD | 604197 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.000 | 0.224 | (0;000) | ✗ | 02/02/17 |
PbClF | COD | 1011058 | P4/nmm (129) | ✔ | 6 | 56 | 1 | 1.7485 | 1.842 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y5Pb3 | ICSD | 648656 | P6_3/mcm (193) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 02/02/17 |
Rb2Te | ICSD | 55148 | Cmc2_1 (36) | ✗ | 6 | 48 | 2 | 1.7077 | 1.708 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbS | ICSD | 183241 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.9413 | 0.962 | 0.000 | (0;000) | ✗ | 06/10/16 |
Y2Pd2Pb | COD | 1532869 | P4/mbm (127) | ✔ | 10 | 144 | 3 | 0.0 | 0.006 | 0.632 | (0;000) | ✗ | 02/02/17 |
SnPbS3 | ICSD | 648477 | Pnma (62) | ✔ | 20 | 184 | 2 | 0.876 | 0.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrPbS3 | ICSD | 2439 | Pnma (62) | ✔ | 20 | 144 | 3 | 0.958 | 0.958 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrTl2PbS4 | ICSD | 237507 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.5808 | 1.368 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta3PbS6 | ICSD | 74693 | P6_3/mcm (193) | ✔ | 20 | 178 | 3 | 0.0 | 0.000 | 0.954 | (0;000) | ✗ | 02/02/17 |
Tl4PbSe3 | ICSD | 648545 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.016 | 0.044 | (0;000) | ✗ | 02/02/17 |
ZrTl2PbSe4 | ICSD | 237508 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.0 | 0.930 | 0.030 | (0;000) | ✗ | 02/02/17 |
PbS | COD | 9014778 | Pnma (62) | ✔ | 8 | 80 | 1 | 0.0 | 0.333 | 0.027 | (0;000) | ✗ | 02/02/17 |
TlInS2 | ICSD | 654688 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 0.4358 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl4Te3Pb | ICSD | 648621 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.040 | 0.020 | (0;000) | ✗ | 02/02/17 |
TePb | ICSD | 648609 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.0 | 0.146 | 0.014 | (0;000) | ✗ | 02/02/17 |
Sr(SbPd)2 | ICSD | 61194 | P4/nmm (129) | ✔ | 10 | 112 | 3 | 0.0 | 0.011 | 0.794 | (0;000) | ✗ | 02/02/17 |
TlPd2Se3 | ICSD | 78786 | P-3m1 (164) | ✔ | 12 | 134 | 3 | 0.0 | 0.223 | 0.134 | (0;000) | ✗ | 02/02/17 |
Y2FeC4 | ICSD | 617900 | Ibam (72) | ✔ | 14 | 92 | 3 | 0.0 | 0.045 | 0.299 | (0;000) | ✗ | 27/01/17 |
HgH4C4(NCl)2 | COD | 2203719 | C2/m (12) | ✔ | 13 | 56 | 2 | 2.1633 | 2.211 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaInSe2 | ICSD | 640520 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.006 | 0.346 | (0;000) | ✔ | 06/10/16 |
Rb2Pd3S4 | ICSD | 41886 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.1446 | 1.318 | 0.000 | (0;000) | ✗ | 02/02/17 |
YPd3S4 | ICSD | 648764 | Pm-3n (223) | ✔ | 16 | 178 | 3 | 0.0 | 0.000 | 0.649 | (0;000) | ✗ | 02/02/17 |
Ca4Ni3C5 | ICSD | 71440 | C2/m (12) | ✔ | 12 | 90 | 2 | 0.0 | 0.047 | 0.184 | (0;000) | ✗ | 27/01/17 |
SiPd3 | ICSD | 43702 | Pnma (62) | ✔ | 16 | 232 | 3 | 0.0 | 0.036 | 0.113 | (0;000) | ✗ | 02/02/17 |
TiPd3 | ICSD | 649049 | P6_3/mmc (194) | ✔ | 16 | 264 | 3 | 0.0 | 0.001 | 0.361 | (0;000) | ✗ | 02/02/17 |
ZrPd3 | COD | 1523504 | P6_3/mmc (194) | ✔ | 16 | 232 | 3 | 0.0 | 0.002 | 0.523 | (0;000) | ✗ | 02/02/17 |
Rb2Te | ICSD | 55151 | Ccm2_1 (36) | ✗ | 6 | 48 | 2 | 1.9925 | 1.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbSe | ICSD | 648514 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.6688 | 0.905 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2CdPt2 | ICSD | 424554 | Immm (71) | ✔ | 5 | 52 | 3 | 0.0 | 0.034 | 0.602 | (0;000) | ✗ | 27/01/17 |
Ca2NCl | ICSD | 62555 | R-3m (166) | ✔ | 4 | 32 | 1 | 2.3335 | 2.334 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdS2 | COD | 2310589 | Pbca (61) | ✔ | 12 | 120 | 2 | 0.0 | 0.960 | 0.076 | (0;000) | ✗ | 02/02/17 |
Ca2CrN3 | COD | 7012864 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.9093 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2FeWO6 | ICSD | 81203 | Fm-3m (225) | ✔ | 10 | 78 | 3 | 0.625 | 0.627 | 0.000 | (0;000) | ✗ | 27/01/17 |
P2O3 | ICSD | 62026 | P2_1/m (11) | ✔ | 20 | 112 | 1 | 3.7642 | 3.787 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdSe2 | COD | 4310736 | Pbca (61) | ✔ | 12 | 120 | 3 | 0.0 | 0.571 | 0.028 | (0;000) | ✗ | 02/02/17 |
Tl2PdSe2 | ICSD | 79601 | Pbam (55) | ✔ | 10 | 112 | 3 | 0.0 | 0.318 | 0.215 | (0;000) | ✗ | 02/02/17 |
PdSe | ICSD | 77895 | P4_2/m (84) | ✔ | 16 | 192 | 3 | 0.0 | 0.017 | 0.120 | (0;000) | ✗ | 02/02/17 |
Ca2GeO4 | ICSD | 182051 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 1.1021 | 1.102 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdS | COD | 9008964 | P4_2/m (84) | ✔ | 16 | 192 | 3 | 0.0 | 0.012 | 0.455 | (0;000) | ✗ | 02/02/17 |
PdS | COD | 9013399 | P4_2/m (84) | ✔ | 16 | 192 | 3 | 0.0424 | 0.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbClF | COD | 1011046 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 3.1252 | 3.139 | 0.000 | (0;000) | ✗ | 27/01/17 |
InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2Te5 | ICSD | 30734 | C2/m (12) | ✔ | 7 | 48 | 3 | 0.2458 | 0.494 | 0.000 | (0;000) | ✔ | 02/02/17 |
P | ICSD | 154318 | C2/m (12) | ✔ | 8 | 40 | 1 | 2.6998 | 3.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
P | COD | 9013110 | P-1 (2) | ✔ | 24 | 120 | 1 | 3.2513 | 3.259 | 0.000 | (0;000) | ✗ | 02/02/17 |
P | COD | 9015458 | P4/nmm (129) | ✔ | 4 | 20 | 1 | 0.0 | 0.005 | 0.310 | (0;000) | ✗ | 02/02/17 |
Zr5PPb3 | ICSD | 604196 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.729 | (0;000) | ✗ | 02/02/17 |
TePb | ICSD | 190438 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.040 | 0.112 | (0;000) | ✗ | 02/02/17 |
PPbS3 | ICSD | 647906 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.9505 | 1.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
PPbSe3 | ICSD | 62230 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.4514 | 1.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2GeO4 | COD | 1527982 | I4/mmm (139) | ✔ | 7 | 48 | 2 | 3.1506 | 3.559 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2MgP2(H2O5)2 | ICSD | 156224 | P-1 (2) | ✔ | 19 | 104 | 2 | 5.6684 | 5.802 | 0.000 | (0;000) | ✗ | 27/01/17 |