▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na3Bi | COD | 1010291 | P6_3/mmc (194) | ✔ | 8 | 84 | 1 | 0.0 | 0.026 | 0.008 | (1;000) | ✗ | 02/02/17 |
TlInSe2 | ICSD | 640528 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.0 | 0.013 | 0.035 | (0;000) | ✗ | 02/02/17 |
K2CdSnSe4 | ICSD | 185468 | I-42m (121) | ✗ | 8 | 68 | 1 | 1.761 | 1.761 | 0.000 | (0;000) | ✗ | 22/03/17 |
P | ICSD | 154318 | C2/m (12) | ✔ | 8 | 40 | 1 | 2.6998 | 3.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
F2 | COD | 9012465 | Pm-3n (223) | ✔ | 8 | 56 | 1 | 0.0 | 0.000 | 0.909 | (1;000) | ✗ | 02/02/17 |
TlSe | COD | 9008952 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.0 | 0.367 | 0.043 | (0;000) | ✗ | 02/02/17 |
Li | ICSD | 109012 | I-43d (220) | ✗ | 8 | 24 | 1 | 0.0 | 0.000 | 0.448 | ? | ✗ | 15/02/17 |
Sb2MoS | ICSD | 412092 | C2/m (12) | ✔ | 8 | 60 | 3 | 0.0 | 0.016 | 0.891 | (0;001) | ✗ | 10/08/17 |
RbFeS2 | COD | 1008342 | C2/c (15) | ✔ | 8 | 58 | 1 | 0.0 | 0.000 | 0.270 | (1;101) | ✗ | 02/02/17 |
RbFeS2 | ICSD | 633207 | Immm (71) | ✔ | 8 | 58 | 1 | 0.0 | 0.018 | 0.069 | (0;111) | ✗ | 02/02/17 |
MgPd3 | ICSD | 150228 | I4/mmm (139) | ✔ | 8 | 128 | 3 | 0.0 | 0.006 | 0.682 | (1;000) | ✗ | 29/03/17 |
SrIn3 | ICSD | 640581 | P6_3/mmc (194) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 02/02/17 |
MnSi | COD | 9013972 | P2_13 (198) | ✗ | 8 | 76 | 3 | 0.0 | 0.000 | 0.662 | ? | ✗ | 15/02/17 |
Tl2SnHgSe4 | ICSD | 247764 | I-42m (121) | ✗ | 8 | 76 | 1 | 0.4214 | 0.421 | 0.000 | (0;000) | ✔ | 29/03/17 |
CaZnSO | ICSD | 245309 | P6_3mc (186) | ✗ | 8 | 68 | 1 | 2.7339 | 2.734 | 0.000 | (0;000) | ✗ | 15/02/17 |
Rb2SnHgTe4 | ICSD | 262390 | I-42m (121) | ✗ | 8 | 68 | 1 | 0.3755 | 0.886 | 0.000 | (0;000) | ✔ | 29/03/17 |
KPH2SO3 | ICSD | 75217 | Cm (8) | ✗ | 8 | 40 | 1 | 4.6809 | 4.776 | 0.000 | (0;000) | ✗ | 15/02/17 |
GeRh | ICSD | 53890 | P2_13 (198) | ✗ | 8 | 84 | 3 | 0.0 | 0.000 | 0.300 | (0;100) | ✔ | 15/02/17 |
GaCuTe2 | ICSD | 74456 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.396 | 0.396 | 0.000 | (0;000) | ✔ | 22/03/17 |
GaPd | COD | 8103055 | P2_13 (198) | ✗ | 8 | 124 | 3 | 0.0 | 0.000 | 0.518 | ? | ✗ | 15/02/17 |
ZnCu2SnSe4 | ICSD | 189278 | I-4 (82) | ✗ | 8 | 72 | 3 | 0.0 | 0.040 | 0.015 | (1;000) | ✔ | 15/02/17 |
TePb | ICSD | 648609 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.0 | 0.146 | 0.014 | (0;000) | ✗ | 02/02/17 |
CsZn4P3 | ICSD | 262031 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0592 | 0.059 | 0.000 | (0;000) | ✗ | 07/04/17 |
MnPd3 | COD | 1523902 | I4/mmm (139) | ✔ | 8 | 138 | 3 | 0.0 | 0.001 | 0.841 | (0;111) | ✗ | 29/03/17 |
InFe2CuSe4 | ICSD | 160047 | I-42m (121) | ✗ | 8 | 64 | 3 | 0.0 | 0.005 | 0.480 | ? | ✗ | 15/02/17 |
Na3Sb | COD | 1010292 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.2556 | 0.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrMnSb2 | ICSD | 643539 | Pmmn (59) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.963 | (1;000) | ✗ | 02/02/17 |
TlF | ICSD | 9873 | Pma2 (28) | ✗ | 8 | 80 | 2 | 0.0 | 0.011 | 0.067 | (1;000) | ✔ | 15/02/17 |
FeSi(CuSe2)2 | ICSD | 627368 | I-42m (121) | ✗ | 8 | 58 | 3 | 0.0 | 0.002 | 0.633 | ? | ✗ | 15/02/17 |
FeCu2SnS4 | COD | 1011151 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.001 | 0.361 | (1;111) | ✔ | 15/02/17 |
FeCu2SnSe4 | ICSD | 169839 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.004 | 0.448 | ? | ✗ | 15/02/17 |
FeCu2SnS4 | ICSD | 181166 | P-42m (111) | ✗ | 8 | 68 | 3 | 0.0 | 0.005 | 0.465 | ? | ✗ | 15/02/17 |
Na2MgSn | COD | 4328980 | P6_3/mmc (194) | ✔ | 8 | 84 | 1 | 0.0 | 0.024 | 0.090 | (1;000) | ✗ | 02/02/17 |
Os | ICSD | 27568 | P2_1/c (14) | ✔ | 8 | 128 | 1 | 0.0 | 0.001 | 0.042 | (1;001) | ✗ | 02/02/17 |
ZrSb | ICSD | 107692 | P2_13 (198) | ✗ | 8 | 36 | 3 | 0.0 | 0.000 | 0.726 | ? | ✗ | 15/02/17 |
SiTc | ICSD | 652380 | P2_13 (198) | ✗ | 8 | 76 | 3 | 0.0 | 0.000 | 1.000 | ? | ✗ | 15/02/17 |
ZnS | COD | 9013409 | P6_3mc (186) | ✗ | 8 | 72 | 3 | 2.1423 | 2.142 | 0.000 | (0;000) | ✗ | 15/02/17 |
HfSb | ICSD | 638877 | P2_13 (198) | ✗ | 8 | 68 | 3 | 0.0 | 0.000 | 0.734 | ? | ✗ | 15/02/17 |
BaAg2SnS4 | ICSD | 41898 | I222 (23) | ✗ | 8 | 70 | 3 | 0.3815 | 1.163 | 0.000 | (0;000) | ✔ | 16/03/17 |
Zr3O | COD | 1521833 | P6_322 (182) | ✗ | 8 | 36 | 3 | 0.0 | 0.002 | 0.355 | (1;000) | ✔ | 15/03/17 |
CsGaS2 | COD | 1529692 | C2/c (15) | ✔ | 8 | 68 | 1 | 3.367 | 3.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaAg2GeS4 | ICSD | 10040 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.5735 | 1.186 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cs | ICSD | 57192 | P4_2/mbc (135) | ✔ | 8 | 72 | 3 | 0.0 | 0.013 | 0.468 | (0;000) | ✗ | 02/02/17 |
CsI | COD | 9016261 | Pnma (62) | ✔ | 8 | 64 | 1 | 2.5201 | 2.520 | 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 |
FeAg2SnS4 | COD | 1008963 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.010 | 0.290 | (1;111) | ✔ | 16/03/17 |
ZnAg2SnS4 | ICSD | 605734 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.021 | 0.007 | (1;000) | ✔ | 16/03/17 |
SiPt3 | ICSD | 649613 | P4/mbm (127) | ✔ | 8 | 68 | 3 | 0.0 | 0.019 | 0.278 | (1;000) | ✗ | 02/02/17 |
CsRe | COD | 9015216 | Pnma (62) | ✔ | 8 | 96 | 1 | 0.0 | 0.006 | 0.325 | (0;000) | ✗ | 02/02/17 |
ScAlCO | ICSD | 426425 | P6_3mc (186) | ✗ | 8 | 48 | 3 | 1.205 | 2.325 | 0.000 | (0;000) | ✗ | 15/02/17 |
SiI3 | COD | 2019712 | R-3 (148) | ✔ | 8 | 50 | 1 | 2.7095 | 2.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgI | COD | 2105342 | P6_3mc (186) | ✗ | 8 | 72 | 2 | 0.7513 | 0.751 | 0.000 | (0;000) | ✗ | 16/03/17 |
TlPd3 | ICSD | 649063 | I4/mmm (139) | ✔ | 8 | 134 | 3 | 0.0 | 0.003 | 0.251 | (1;000) | ✗ | 29/03/17 |
SrHg3 | ICSD | 247136 | P6_3/mmc (194) | ✔ | 8 | 92 | 3 | 0.0 | 0.002 | 0.468 | (1;000) | ✗ | 02/02/17 |
CdSnAs2 | ICSD | 22182 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.046 | 0.012 | (1;000) | ✔ | 16/03/17 |
HfI3 | ICSD | 23947 | P6_3/mcm (193) | ✔ | 8 | 66 | 1 | 0.0 | 0.000 | 0.633 | (0;000) | ✗ | 02/02/17 |
Rb3Sb | ICSD | 77991 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.1219 | 0.176 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSnSb2 | ICSD | 651588 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.008 | 0.020 | (1;000) | ✔ | 29/03/17 |
RbCuC2 | ICSD | 412039 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiSe | ICSD | 652055 | R-3m (166) | ✔ | 8 | 72 | 3 | 0.0 | 0.012 | 0.693 | (1;000) | ✗ | 29/03/17 |
ICl3 | COD | 4336764 | P-1 (2) | ✔ | 8 | 56 | 1 | 1.572 | 1.573 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mn3As | ICSD | 40437 | Cmcm (63) | ✔ | 8 | 100 | 3 | 0.0 | 0.014 | 0.586 | (0;000) | ✗ | 21/03/17 |
TlS | ICSD | 651247 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.2067 | 0.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsZn4As3 | ICSD | 262030 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.040 | 0.073 | (0;001) | ✗ | 07/04/17 |
RbZn4P3 | ICSD | 262039 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.1514 | 0.151 | 0.000 | (0;000) | ✗ | 07/04/17 |
RbZn4As3 | ICSD | 262038 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.021 | 0.003 | (0;001) | ✗ | 07/04/17 |
CsCd4As3 | ICSD | 262029 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.2198 | 0.220 | 0.000 | (0;000) | ✗ | 07/04/17 |
GaPt | ICSD | 635132 | P2_13 (198) | ✗ | 8 | 92 | 3 | 0.0 | 0.000 | 0.380 | (0;111) | ✔ | 11/04/17 |
KSbS2 | ICSD | 641324 | C2/c (15) | ✔ | 8 | 52 | 1 | 1.4975 | 1.501 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiNi | COD | 2300376 | P2_13 (198) | ✗ | 8 | 56 | 3 | 0.0 | 0.000 | 0.360 | (1;000) | ✔ | 11/04/17 |
Bi2TeI | ICSD | 153858 | R-3m (166) | ✔ | 8 | 86 | 1 | 0.0 | 0.126 | 0.008 | (0;111) | ✗ | 21/03/17 |
TiSi | ICSD | 166580 | Pmm2 (25) | ✗ | 8 | 64 | 3 | 0.0 | 0.005 | 0.387 | (0;000) | ✔ | 11/04/17 |
SrZnBi2 | ICSD | 41924 | I4/mmm (139) | ✔ | 8 | 104 | 1 | 0.0 | 0.031 | 0.134 | (0;000) | ✗ | 02/02/17 |
GaPt3 | COD | 1523390 | I4/mcm (140) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.553 | (0;111) | ✗ | 02/02/17 |
BI3 | COD | 1511187 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 2.4263 | 2.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlGaSe2 | COD | 7221239 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.2788 | 0.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
K | ICSD | 157573 | I4/mcm (140) | ✔ | 8 | 72 | 3 | 0.0 | 0.003 | 0.840 | (0;111) | ✗ | 02/02/17 |
FeAgS2 | COD | 1509337 | I-42d (122) | ✗ | 8 | 62 | 3 | 0.0 | 0.000 | 0.737 | ? | ✗ | 15/02/17 |
InGaTe2 | ICSD | 60084 | I4/mcm (140) | ✔ | 8 | 76 | 3 | 0.0 | 0.076 | 0.065 | (0;000) | ✗ | 02/02/17 |
BiBr3 | COD | 8103606 | C2/m (12) | ✔ | 8 | 72 | 2 | 2.0253 | 2.057 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrHClO | ICSD | 407719 | P6_3mc (186) | ✗ | 8 | 48 | 1 | 5.0288 | 5.047 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnSnP2 | ICSD | 648168 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.9472 | 0.947 | 0.000 | (0;000) | ✗ | 15/02/17 |
ScCl3 | ICSD | 74517 | R-3 (148) | ✔ | 8 | 64 | 2 | 3.482 | 3.639 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaMnSb2 | ICSD | 52705 | Pmmn (59) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.954 | (0;001) | ✗ | 02/02/17 |
K3P | ICSD | 25550 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.2826 | 0.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnCu2SnTe4 | ICSD | 656156 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.006 | 0.078 | (1;000) | ✔ | 22/03/17 |
ScAlCO | ICSD | 419683 | R-3m (166) | ✔ | 8 | 48 | 3 | 0.3449 | 1.217 | 0.000 | (0;000) | ✗ | 21/03/17 |
SnO | COD | 1101035 | Cmc2_1 (36) | ✗ | 8 | 80 | 2 | 0.0 | 0.009 | 0.349 | (1;011) | ✔ | 15/02/17 |
CuCClO | ICSD | 63490 | Pmn2_1 (31) | ✗ | 8 | 56 | 2 | 2.3445 | 2.639 | 0.000 | (0;000) | ✗ | 15/02/17 |
Na2CdSnS4 | COD | 7011307 | C2 (5) | ✗ | 8 | 68 | 3 | 2.0139 | 2.014 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbInTe2 | ICSD | 75346 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.9151 | 1.411 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2CdGeTe4 | COD | 4000657 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.0 | 0.139 | 0.086 | (0;000) | ✔ | 22/03/17 |
TlInSe2 | COD | 1527852 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.3952 | 0.395 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2CaGeO4 | ICSD | 19024 | I-42m (121) | ✗ | 8 | 44 | 1 | 4.5502 | 4.765 | 0.000 | (0;000) | ✗ | 15/02/17 |
K3N | COD | 1529114 | P6_3/mcm (193) | ✔ | 8 | 64 | 1 | 0.0 | 0.004 | 0.203 | (0;000) | ✗ | 02/02/17 |
W3O | ICSD | 150496 | Pm-3n (223) | ✔ | 8 | 180 | 3 | 0.0 | 0.007 | 0.611 | (1;000) | ✗ | 11/04/17 |
Li2CaSiO4 | ICSD | 19023 | I-42m (121) | ✗ | 8 | 44 | 1 | 5.4389 | 5.954 | 0.000 | (0;000) | ✗ | 15/02/17 |
RbLiCl2 | ICSD | 36216 | Cmcm (63) | ✔ | 8 | 52 | 1 | 5.2413 | 5.241 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnSe | COD | 9008786 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaInTe2 | ICSD | 25346 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.7113 | 0.926 | 0.000 | (0;000) | ✗ | 02/02/17 |