▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GaC5 | COD | 4110964 | P-42c (112) | ✗ | 12 | 66 | 3 | 0.0 | 0.000 | 0.575 | ? | ✗ | 21/03/17 |
TlPd2Se3 | ICSD | 78786 | P-3m1 (164) | ✔ | 12 | 134 | 3 | 0.0 | 0.223 | 0.134 | (0;000) | ✗ | 02/02/17 |
ScSn2 | ICSD | 106965 | I4_1/amd (141) | ✔ | 12 | 156 | 3 | 0.0 | 0.007 | 0.811 | (1;111) | ✗ | 29/03/17 |
ZrRe2 | ICSD | 650212 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.006 | 0.789 | (0;000) | ✗ | 02/02/17 |
TeO2 | COD | 1520934 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 3.0222 | 3.190 | 0.000 | (0;000) | ✗ | 15/02/17 |
SbRuS | ICSD | 650583 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.1583 | 0.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2Pb | COD | 1523314 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0361 | 0.074 | 0.000 | (1;000) | ✗ | 02/02/17 |
H4NF | COD | 2106401 | P6_3mc (186) | ✗ | 12 | 32 | 1 | 5.8885 | 5.974 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2RbMn2F7 | ICSD | 410707 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.013 | 0.728 | (0;000) | ✗ | 22/03/17 |
TiGa2 | ICSD | 635561 | I4_1/amd (141) | ✔ | 12 | 152 | 3 | 0.0 | 0.005 | 0.600 | (1;111) | ✗ | 22/03/17 |
HOF | ICSD | 63681 | P2_12_12_1 (19) | ✗ | 12 | 56 | 1 | 3.5169 | 3.518 | 0.000 | (0;000) | ✗ | 15/02/17 |
Te2Ru | COD | 9012341 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.378 | 0.015 | (0;000) | ✗ | 02/02/17 |
SrP | ICSD | 26262 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.4592 | 1.096 | 0.000 | (0;000) | ✔ | 10/04/17 |
SiO2 | COD | 9006307 | P1 (1) | ✗ | 12 | 64 | 3 | 0.856 | 0.909 | 0.000 | (0;000) | ✗ | 15/02/17 |
SiO2 | COD | 9006304 | P1 (1) | ✗ | 12 | 64 | 3 | 4.624 | 4.702 | 0.000 | (0;000) | ✗ | 15/02/17 |
SiO2 | COD | 9006303 | P1 (1) | ✗ | 12 | 64 | 3 | 4.5774 | 4.577 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr3Fe2O7 | ICSD | 163173 | I4/mmm (139) | ✔ | 12 | 88 | 2 | 0.0 | 0.008 | 0.952 | (0;000) | ✗ | 22/03/17 |
RbTl(SO4)2 | ICSD | 21087 | R32 (155) | ✗ | 12 | 82 | 2 | 2.2618 | 2.284 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZrO2 | COD | 9009919 | Pca2_1 (29) | ✗ | 12 | 64 | 3 | 3.5103 | 3.622 | 0.000 | (0;000) | ✗ | 15/02/17 |
Li2CaHfF8 | ICSD | 95248 | I-4 (82) | ✗ | 12 | 84 | 1 | 7.2455 | 7.291 | 0.000 | (0;000) | ✗ | 15/02/17 |
GePd5 | ICSD | 637537 | C2 (5) | ✗ | 12 | 188 | 3 | 0.0 | 0.006 | 0.556 | ? | ✗ | 15/02/17 |
YRe2 | ICSD | 150517 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.016 | 0.751 | (0;000) | ✗ | 02/02/17 |
ScRe2 | COD | 1522214 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.006 | 0.770 | (0;000) | ✗ | 02/02/17 |
VSbO4 | COD | 2101705 | I4_1md (109) | ✗ | 12 | 84 | 3 | 0.0 | 0.004 | 1.000 | ? | ✗ | 15/02/17 |
MnFeP | ICSD | 632538 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.008 | 0.164 | (1;000) | ✗ | 22/03/17 |
PdSe2 | COD | 4310736 | Pbca (61) | ✔ | 12 | 120 | 3 | 0.0 | 0.571 | 0.028 | (0;000) | ✗ | 02/02/17 |
RbH3O2 | ICSD | 47115 | Cmc2_1 (36) | ✗ | 12 | 48 | 1 | 2.3548 | 2.373 | 0.000 | (0;000) | ✗ | 15/02/17 |
SrMgF4 | COD | 7218677 | Cmc2_1 (36) | ✗ | 12 | 96 | 2 | 6.891 | 6.986 | 0.000 | (0;000) | ✗ | 15/02/17 |
TaTl(PO4)2 | ICSD | 190109 | P321 (150) | ✗ | 12 | 84 | 1 | 0.0 | 0.000 | 0.511 | ? | ✗ | 15/02/17 |
SiO2 | COD | 9006293 | P1 (1) | ✗ | 12 | 64 | 3 | 5.6723 | 5.719 | 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 |
MnPd2 | ICSD | 247774 | Pnma (62) | ✔ | 12 | 204 | 3 | 0.0 | 0.000 | 0.706 | (1;011) | ✗ | 29/03/17 |
LiGe | ICSD | 60843 | I4_1/amd (141) | ✔ | 12 | 42 | 1 | 0.0 | 0.000 | 0.849 | (1;111) | ✗ | 22/03/17 |
NaV(OF)2 | COD | 1000373 | P2_1 (4) | ✗ | 12 | 96 | 1 | 2.0236 | 2.570 | 0.000 | (0;000) | ✗ | 15/02/17 |
MnF2 | COD | 1528224 | P-42m (111) | ✗ | 12 | 116 | 3 | 0.0 | 0.001 | 0.621 | ? | ✗ | 15/02/17 |
Ge | COD | 9011057 | P4_32_12 (96) | ✗ | 12 | 48 | 3 | 0.4676 | 0.468 | 0.000 | (0;000) | ✔ | 22/03/17 |
GePtS | ICSD | 637647 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.708 | 0.880 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sb2Pd | COD | 9012347 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.006 | 0.371 | (1;000) | ✗ | 02/02/17 |
WSCl4 | COD | 1527305 | P-1 (2) | ✔ | 12 | 124 | 1 | 0.0 | 0.048 | 0.072 | (1;111) | ✗ | 11/04/17 |
ZrIn2 | ICSD | 640720 | I4_1/amd (141) | ✔ | 12 | 120 | 3 | 0.0 | 0.016 | 0.551 | (1;111) | ✗ | 29/03/17 |
CuWO4 | COD | 4000809 | P-1 (2) | ✔ | 12 | 126 | 3 | 0.0 | 0.030 | 0.340 | (1;011) | ✗ | 11/04/17 |
ScCoP | ICSD | 624621 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.511 | (0;011) | ✗ | 22/03/17 |
TiCoP | ICSD | 624646 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.022 | 0.099 | (1;000) | ✗ | 22/03/17 |
H2O | COD | 1011063 | C222_1 (20) | ✗ | 12 | 32 | 3 | 3.802 | 4.116 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr3Fe2Br2O5 | ICSD | 69872 | I4/mmm (139) | ✔ | 12 | 90 | 1 | 0.0 | 0.006 | 0.704 | (0;000) | ✗ | 21/03/17 |
SiO2 | COD | 9006286 | Pna2_1 (33) | ✗ | 12 | 64 | 3 | 5.693 | 5.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
NaS | ICSD | 43405 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.8537 | 1.655 | 0.000 | (0;000) | ✗ | 29/03/17 |
Ge2W | ICSD | 638115 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.031 | 0.172 | (1;000) | ✗ | 11/04/17 |
LiH3IN | ICSD | 55064 | P2_1 (4) | ✗ | 12 | 36 | 1 | 3.8239 | 3.825 | 0.000 | (0;000) | ✗ | 15/02/17 |
CrReO4 | COD | 1528741 | C2/m (12) | ✔ | 12 | 106 | 3 | 0.0 | 0.026 | 0.770 | (0;111) | ✗ | 22/03/17 |
MgPHO9 | COD | 9007436 | R3 (146) | ✗ | 12 | 70 | 1 | 0.0 | 0.009 | 0.216 | (0;000) | ✔ | 29/03/17 |
K3Zn2F7 | COD | 1532738 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 4.0551 | 5.518 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sr2Si | COD | 1520913 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3629 | 0.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
AsPd2 | COD | 9012381 | Cmc2_1 (36) | ✗ | 12 | 164 | 3 | 0.0 | 0.001 | 0.213 | ? | ✗ | 07/08/17 |
SrSi2 | ICSD | 652289 | P4_332 (212) | ✗ | 12 | 72 | 3 | 0.0 | 0.003 | 0.068 | (0;000) | ✔ | 26/04/17 |
CaPPt | ICSD | 60826 | Pmc2_1 (26) | ✗ | 12 | 100 | 3 | 0.0 | 0.011 | 0.164 | (0;000) | ✔ | 26/04/17 |
PdS2 | COD | 2310589 | Pbca (61) | ✔ | 12 | 120 | 2 | 0.0 | 0.960 | 0.076 | (0;000) | ✗ | 02/02/17 |
CuTeAs | ICSD | 610367 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 0.0 | 0.014 | 0.239 | (0;000) | ✔ | 26/04/17 |
BaSiPt | ICSD | 604438 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.537 | ? | ✗ | 21/03/17 |
Te2Au | COD | 9011456 | Pc (7) | ✗ | 12 | 92 | 3 | 0.0 | 0.134 | 0.109 | (0;000) | ✔ | 26/04/17 |
SrWO4 | ICSD | 184047 | I4_1/a (88) | ✔ | 12 | 124 | 1 | 4.8903 | 4.890 | 0.000 | (0;000) | ✗ | 11/04/17 |
BiPtSe | ICSD | 616991 | P2_13 (198) | ✗ | 12 | 124 | 3 | 0.0 | 0.000 | 0.649 | ? | ✗ | 21/03/17 |
ZnWO4 | COD | 2101686 | P-1 (2) | ✔ | 12 | 128 | 3 | 2.6316 | 2.818 | 0.000 | (0;000) | ✗ | 11/04/17 |
MnSiRh | ICSD | 643419 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.004 | 0.316 | (0;000) | ✗ | 29/03/17 |
SbIrSe | ICSD | 640966 | P2_13 (198) | ✗ | 12 | 112 | 3 | 3.5112 | 1.511 | 1.000 | (0;000) | ✗ | 29/03/17 |
K3Mn2F7 | ICSD | 33525 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.014 | 0.728 | (0;000) | ✗ | 22/03/17 |
K3Ni2F7 | ICSD | 33523 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 0.0 | 0.005 | 0.763 | (0;000) | ✗ | 22/03/17 |
SbTeIr | ICSD | 640967 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.0495 | 1.421 | 0.000 | (0;000) | ✗ | 29/03/17 |
AgAsSe | ICSD | 604753 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 0.0 | 0.017 | 0.318 | (0;000) | ✔ | 13/04/17 |
YZnSn | ICSD | 152622 | P6_3/mmc (194) | ✔ | 12 | 148 | 3 | 0.0 | 0.012 | 0.430 | (0;000) | ✗ | 02/02/17 |
Rb2SiS3 | COD | 8100236 | C2/m (12) | ✔ | 12 | 80 | 1 | 2.8708 | 2.943 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SrTa2O7 | ICSD | 93492 | I4/mmm (139) | ✔ | 12 | 96 | 1 | 2.1211 | 2.584 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZrV2 | ICSD | 653414 | P6_3/mmc (194) | ✔ | 12 | 120 | 3 | 0.0 | 0.000 | 0.770 | (0;000) | ✗ | 02/02/17 |
Ba3Tl2Cl2O5 | COD | 1001756 | I4/mmm (139) | ✔ | 12 | 100 | 1 | 0.0 | 0.373 | 0.351 | (0;000) | ✗ | 21/03/17 |
PIrSe | ICSD | 640901 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.6034 | 1.909 | 0.000 | (0;000) | ✗ | 15/02/17 |
KTeOF3 | ICSD | 201155 | P2_1 (4) | ✗ | 12 | 84 | 1 | 1.8951 | 2.024 | 0.000 | (0;000) | ✗ | 22/03/17 |
K3TaO8 | ICSD | 73104 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0859 | 3.238 | 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 |
SiCl2 | ICSD | 85526 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 2.0261 | 2.091 | 0.000 | (0;000) | ✗ | 22/03/17 |
KGa3 | COD | 1523230 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.2203 | 0.391 | 0.000 | (0;000) | ✔ | 11/04/17 |
Li7Br3O2 | ICSD | 67264 | I4/mmm (139) | ✔ | 12 | 54 | 1 | 4.0341 | 4.314 | 0.000 | (0;000) | ✗ | 21/03/17 |
MoSBr | ICSD | 163308 | F-43m (216) | ✗ | 12 | 108 | 3 | 0.7669 | 0.770 | 0.000 | (0;000) | ✗ | 21/03/17 |
Li3Ni2SbO6 | ICSD | 183999 | C2/m (12) | ✔ | 12 | 70 | 2 | 0.0 | 0.005 | 0.390 | (0;000) | ✗ | 29/03/17 |
RbSe | ICSD | 73177 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.0379 | 0.404 | 0.000 | (0;000) | ✔ | 10/04/17 |
Y2Pt | ICSD | 649844 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.012 | 0.457 | (0;000) | ✗ | 02/02/17 |
PRhSe | ICSD | 648002 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.0753 | 1.349 | 0.000 | (0;000) | ✗ | 15/02/17 |
ScRu2 | ICSD | 150514 | P6_3/mmc (194) | ✔ | 12 | 172 | 3 | 0.0 | 0.005 | 0.771 | (0;000) | ✗ | 29/03/17 |
Tl2SiS3 | ICSD | 35041 | P-1 (2) | ✔ | 12 | 96 | 3 | 0.0 | 0.056 | 0.455 | (1;100) | ✗ | 02/02/17 |
ScSiRu | ICSD | 420417 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.711 | (1;011) | ✗ | 29/03/17 |
YSiPt | ICSD | 649647 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.003 | 0.806 | (0;011) | ✗ | 02/02/17 |
PbI2 | ICSD | 60327 | P6_3mc (186) | ✗ | 12 | 112 | 1 | 1.5152 | 1.581 | 0.000 | (0;000) | ✗ | 29/03/17 |
CrSbPt | ICSD | 626558 | P2_13 (198) | ✗ | 12 | 116 | 3 | 0.0 | 0.000 | 0.335 | ? | ✗ | 04/08/17 |
Sr3Ti2O7 | COD | 1530317 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 2.0934 | 2.339 | 0.000 | (0;000) | ✗ | 29/03/17 |
K2SrCdSb2 | ICSD | 422273 | Pmc2_1 (26) | ✗ | 12 | 100 | 1 | 0.2064 | 0.207 | 0.000 | (0;000) | ✔ | 22/03/17 |
AgHgAsS3 | COD | 9000870 | Cc (9) | ✗ | 12 | 92 | 3 | 1.2735 | 1.278 | 0.000 | (0;000) | ✗ | 16/03/17 |
TiNi | ICSD | 150627 | P-1 (2) | ✔ | 12 | 132 | 3 | 0.0 | 0.012 | 0.909 | (1;001) | ✗ | 29/03/17 |
NbSe2 | COD | 2310534 | P-6m2 (187) | ✗ | 12 | 100 | 1 | 0.0 | 0.000 | 0.950 | ? | ✗ | 29/03/17 |
NbRh | ICSD | 645264 | Pmma (51) | ✔ | 12 | 180 | 3 | 0.0 | 0.008 | 0.849 | (1;100) | ✗ | 29/03/17 |
CoF3 | COD | 1010416 | P321 (150) | ✗ | 12 | 114 | 2 | 0.0 | 0.017 | 0.014 | (0;000) | ✔ | 15/03/17 |
GaCuCl4 | ICSD | 300103 | P-42c (112) | ✗ | 12 | 104 | 3 | 1.9742 | 2.030 | 0.000 | (0;000) | ✗ | 22/03/17 |