≤nAtoms≤
≤nElements≤
Space Group:
≤ Gap ≤
≤ Dir. Gap ≤
≤ Met. ≤
Formula
Composition
(ν0,ν1ν2ν3)
Source ID

13628 materials founds

▹ Formula ▹ Source ▹ ID ▹ space group ▹ centered ▹ nat ▹ ne ▴ dim ▹ gap ▹ dir. gap ▹ met. ▹ ν wcc ▹ updated
LiAsF6 ICSD 74831 R-3 (148) ✔ 8 50 1 5.5912 5.598 0.000 (0;000) ✗ 05/01/17
NaAsF6 ICSD 184565 Fm-3m (225) ✔ 8 56 1 6.3822 6.382 0.000 (0;000) ✗ 05/01/17
SBr ICSD 37020 Cc2e (41) ✗ 8 52 1 2.0962 2.254 0.000 (0;000) ✗ 06/10/16
TlAsF6 ICSD 417954 R-3 (148) ✔ 8 60 1 5.1421 5.237 0.000 (0;000) ✗ 05/01/17
NaFeAs ICSD 163143 P4/nmm (129) ✔ 6 44 1 0.0 0.002 0.460 (1;001) ✗ 05/01/17
LiFeAs COD 4501852 P4/nmm (129) ✔ 6 32 1 0.0 0.007 0.546 (1;001) ✗ 05/01/17
SrZnAsF ICSD 189934 P4/nmm (129) ✔ 8 68 1 0.5984 0.598 0.000 (0;000) ✗ 05/01/17
SrMnAsF ICSD 189940 P4/nmm (129) ✔ 8 74 1 0.0 0.000 0.876 (1;001) ✗ 05/01/17
RbSO2F ICSD 89603 P2_1/m (11) ✔ 10 68 1 4.7165 4.722 0.000 (0;000) ✗ 27/01/17
F2 COD 9012471 C2/m (12) ✔ 2 14 1 2.5205 2.521 0.000 (0;000) ✗ 27/01/17
SeBr ICSD 37019 Cc2e (41) ✗ 8 52 1 1.6226 1.760 0.000 (0;000) ✗ 06/10/16
LiAsO3 COD 1529820 R-3 (148) ✔ 10 52 1 4.0057 4.210 0.000 (0;000) ✗ 05/01/17
NaGaH4 ICSD 67309 Cmcm (63) ✔ 12 52 1 4.9199 5.162 0.000 (0;000) ✗ 27/01/17
Li3As COD 1010288 P6_3/mmc (194) ✔ 8 28 1 0.7732 1.714 0.000 (0;000) ✗ 05/01/17
NbBr5 ICSD 409917 P-1 (2) ✔ 12 96 1 0.1833 0.196 0.000 (0;000) ✗ 06/10/16
LiAsSe2 COD 4102048 P-1 (2) ✔ 8 40 1 0.0 0.097 0.008 (0;000) ✗ 05/01/17
WBr6 ICSD 62048 R-3 (148) ✔ 7 56 1 0.6302 0.630 0.000 (0;000) ✗ 02/02/17
NaMgAs COD 9008321 P4/nmm (129) ✔ 6 48 1 0.9367 0.937 0.000 (0;000) ✗ 05/01/17
Mg3Ge COD 1524090 P-3 (147) ✔ 8 68 1 0.0 0.000 0.605 (0;000) ✗ 27/01/17
SrMnGe ICSD 66960 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.761 (0;000) ✗ 27/01/17
Na2ZnGe COD 2212047 Cmcm (63) ✔ 8 68 1 0.0 0.008 0.168 (1;110) ✗ 27/01/17
GeP3 COD 1527464 R-3m (166) ✔ 8 38 1 0.0 0.017 0.480 (1;111) ✗ 27/01/17
Sr2As ICSD 44066 I4/mmm (139) ✔ 6 50 1 0.0 0.019 0.112 (0;111) ✗ 05/01/17
KH2N ICSD 25619 P2_1/m (11) ✔ 8 32 1 1.985 1.985 0.000 (0;000) ✗ 27/01/17
CO2 ICSD 110776 Pnnm (58) ✔ 6 32 1 2.2578 3.149 0.000 (0;000) ✗ 06/10/16
LiP(HO)2 COD 2014097 C2/m (12) ✔ 12 44 1 5.3307 5.483 0.000 (0;000) ✗ 27/01/17
K3AuO COD 1510209 Pm-3m (221) ✔ 5 44 1 0.4723 0.529 0.000 (0;000) ✗ 05/01/17
RbAu(SO4)2 ICSD 412095 P-1 (2) ✔ 12 80 1 2.0264 2.159 0.000 (0;000) ✗ 05/01/17
CS2 ICSD 15672 Cmce (64) ✔ 6 32 1 0.3788 0.877 0.000 (0;000) ✗ 06/10/16
Ca2AuN COD 1510065 Cmcm (63) ✔ 8 72 1 0.0 0.084 0.022 (0;000) ✗ 05/01/17
CSe2 ICSD 60374 Cmce (64) ✔ 6 32 1 1.8396 2.057 0.000 (0;000) ✗ 27/01/17
CsAuS ICSD 656712 Cmcm (63) ✔ 6 52 1 1.7838 1.986 0.000 (0;000) ✗ 05/01/17
CaC2 ICSD 290834 Cmcm (63) ✔ 6 36 1 0.0 0.051 0.065 (0;000) ✗ 06/10/16
NaAuF4 COD 1510141 I4/mcm (140) ✔ 12 96 1 1.6526 1.659 0.000 (0;000) ✗ 05/01/17
CaC2 ICSD 66663 P-1 (2) ✔ 6 36 1 2.4633 3.084 0.000 (0;000) ✗ 06/10/16
KAuO2 COD 1510202 Pmmm (47) ✔ 4 32 1 1.0493 1.524 0.000 (0;000) ✗ 05/01/17
CaC2 ICSD 74665 I4/mmm (139) ✔ 3 18 1 1.6401 2.615 0.000 (0;000) ✗ 06/10/16
KAuSe COD 1510205 Cmcm (63) ✔ 6 52 1 1.7302 2.008 0.000 (0;000) ✗ 05/01/17
Na2Au COD 1510247 I4/mcm (140) ✔ 6 58 1 0.0 0.003 0.723 (1;000) ✗ 05/01/17
Sr2AuN COD 1510242 Cmcm (63) ✔ 8 72 1 0.0 0.034 0.028 (0;000) ✗ 05/01/17
CaGa ICSD 260641 Ccmm (63) ✔ 4 46 1 0.0 0.000 0.830 (0;000) ✗ 06/10/16
PI2 ICSD 36293 P-1 (2) ✔ 6 38 1 1.0952 1.146 0.000 (0;000) ✗ 02/02/17
CaGe ICSD 185653 Cmcm (63) ✔ 4 28 1 0.0 0.031 0.197 (0;110) ✗ 06/10/16
KSb2 ICSD 80945 C2/m (12) ✔ 6 38 1 0.1801 0.569 0.000 (0;000) ✔ 02/02/17
CaP3 ICSD 74479 P-1 (2) ✔ 8 50 1 0.0 0.016 0.024 (1;010) ✗ 27/01/17
Ba2CaOsO6 ICSD 171988 Fm-3m (225) ✔ 10 82 1 0.0 0.000 0.191 (0;000) ✗ 05/01/17
CaSi ICSD 190659 Cmcm (63) ✔ 4 28 1 0.0 0.007 0.172 (1;000) ✗ 06/10/16
RuBr3 ICSD 28119 Cm2m (38) ✗ 8 74 1 0.0 0.064 0.330 (0;000) ✔ 06/10/16
K2Se3 ICSD 1264 Ccm2_1 (36) ✗ 10 72 1 0.7025 0.851 0.000 (0;000) ✗ 06/10/16
RbAuSe COD 8103428 Cmcm (63) ✔ 6 52 1 1.6696 1.949 0.000 (0;000) ✗ 05/01/17
CaSn ICSD 165193 Cmcm (63) ✔ 4 48 1 0.0 0.065 0.315 (0;110) ✗ 06/10/16
Ba2Mg(BO3)2 ICSD 75986 R-3m (166) ✔ 11 72 1 4.8916 4.892 0.000 (0;000) ✗ 05/01/17
CaGe2 ICSD 185655 P6_3mc (186) ✗ 6 36 1 0.0 0.071 0.116 (1;000) ✔ 04/10/16
Ba2Ca(BO3)2 ICSD 80429 C2/m (12) ✔ 11 72 1 4.2772 4.277 0.000 (0;000) ✗ 05/01/17
BaB2F8 COD 2016138 C2/m (12) ✔ 11 72 1 8.347 8.354 0.000 (0;000) ✗ 05/01/17
Li4H5Rh ICSD 26225 Cmcm (63) ✔ 20 68 1 0.0 0.040 0.723 (0;110) ✗ 27/01/17
CaZn ICSD 184361 Cmcm (63) ✔ 4 44 1 0.0 0.012 0.543 (1;110) ✗ 27/01/17
KBrO3 ICSD 33663 R3m (160) ✗ 5 34 1 3.1451 3.145 0.000 (0;000) ✗ 06/10/16
KBrO3 ICSD 47173 R3m (160) ✗ 5 34 1 3.909 3.909 0.000 (0;000) ✗ 06/10/16
KBrO3 ICSD 74767 R3m (160) ✗ 5 34 1 3.8919 3.892 0.000 (0;000) ✗ 06/10/16
RbBrO3 ICSD 74768 R3m (160) ✗ 5 34 1 4.0343 4.035 0.000 (0;000) ✗ 06/10/16
TlBrO3 ICSD 76966 R3m (160) ✗ 5 38 1 2.7769 2.778 0.000 (0;000) ✗ 06/10/16
SbSBr ICSD 88587 P2_1nb (33) ✗ 12 72 1 1.6228 1.792 0.000 (0;000) ✗ 06/10/16
Ca3SiBr2 ICSD 89541 R3m (160) ✗ 6 48 1 0.0 0.002 0.536 (1;000) ✔ 05/12/16
Ca3SiBr2 ICSD 89542 R3m (160) ✗ 6 48 1 0.0 0.004 0.425 ? ✗ 06/10/16
Ca3SiBr2 ICSD 89543 P-6m2 (187) ✗ 6 48 1 0.0 0.004 0.331 ? ✗ 06/10/16
Ca3SiBr2 ICSD 89544 Cm (8) ✗ 6 48 1 0.0 0.003 0.511 ? ✗ 06/10/16
Ca3SiBr2 ICSD 89545 Cm (8) ✗ 6 48 1 0.0 0.001 0.512 ? ✗ 06/10/16
B9N COD 1525095 I4/mmm (139) ✔ 10 32 1 0.0 0.001 0.538 (0;111) ✗ 05/01/17
PH6NO2 COD 4308329 Cmme (67) ✔ 20 56 1 5.1799 5.180 0.000 (0;000) ✗ 27/01/17
Li2Si ICSD 24146 C2/m (12) ✔ 6 20 1 0.0 0.011 0.500 (1;001) ✔ 27/01/17
Ba2H3Br ICSD 415127 P-3m1 (164) ✔ 6 30 1 2.0033 2.374 0.000 (0;000) ✗ 05/01/17
Zn(H4N5)2 ICSD 421952 P-1 (2) ✔ 19 70 1 4.165 4.209 0.000 (0;000) ✗ 27/01/17
AgCN ICSD 85783 R3m (160) ✗ 3 20 1 2.5177 3.110 0.000 (0;000) ✗ 06/10/16
Li8Pb3 ICSD 15694 R-3m (166) ✔ 11 66 1 0.0 0.155 0.632 (1;111) ✔ 06/10/16
Ba2CaTeO6 ICSD 246112 Fm-3m (225) ✔ 10 72 1 3.1007 3.101 0.000 (0;000) ✗ 05/01/17
Ba2Cd ICSD 30083 I4/mmm (139) ✔ 3 32 1 0.0 0.006 0.590 (0;111) ✗ 05/01/17
Ba2H3Cl ICSD 416893 P-3m1 (164) ✔ 6 30 1 2.1081 2.626 0.000 (0;000) ✗ 05/01/17
BaCO3 ICSD 158389 R3m (160) ✗ 5 32 1 3.7206 3.786 0.000 (0;000) ✗ 06/10/16
BaCO3 ICSD 158390 R3m (160) ✗ 5 32 1 3.7237 3.789 0.000 (0;000) ✗ 06/10/16
CF4 ICSD 2848 C2/c (15) ✔ 10 64 1 9.4116 9.472 0.000 (0;000) ✗ 06/10/16
Ba2PCl ICSD 28134 R-3m (166) ✔ 4 32 1 0.9165 0.956 0.000 (0;000) ✗ 05/01/17
TlCl ICSD 109143 Cmcm (63) ✔ 4 40 1 2.1142 2.114 0.000 (0;000) ✗ 27/01/17
Ba2Fe2Se2OF2 ICSD 249687 I4/mmm (139) ✔ 9 68 1 0.0 0.004 0.487 (0;000) ✗ 05/01/17
CrCl2 ICSD 15467 Pmnn (58) ✔ 6 56 1 0.0 0.015 0.396 (0;000) ✗ 06/10/16
CClF3 ICSD 49696 Ccm2_1 (36) ✗ 10 64 1 6.6335 6.643 0.000 (0;000) ✗ 06/10/16
C(ClF)2 ICSD 33946 F2dd (43) ✗ 10 64 1 5.5318 5.537 0.000 (0;000) ✗ 06/10/16
C(ClF)2 ICSD 33947 F2dd (43) ✗ 10 64 1 5.63 5.635 0.000 (0;000) ✗ 06/10/16
C(ClF)2 ICSD 33948 F2dd (43) ✗ 10 64 1 5.7375 5.742 0.000 (0;000) ✗ 06/10/16
CIN ICSD 77911 R3m (160) ✗ 3 16 1 3.8512 3.926 0.000 (0;000) ✗ 06/10/16
KCN ICSD 173942 Cc (9) ✗ 6 36 1 5.131 5.273 0.000 (0;000) ✗ 06/10/16
KCN ICSD 27350 Cm (8) ✗ 3 18 1 4.9473 5.716 0.000 (0;000) ✗ 06/10/16
KCN ICSD 27351 Cm (8) ✗ 3 18 1 4.6894 5.539 0.000 (0;000) ✗ 06/10/16
KCN ICSD 27352 Cm (8) ✗ 3 18 1 5.6021 6.193 0.000 (0;000) ✗ 06/10/16
Ba2LiReO6 ICSD 109259 Fm-3m (225) ✔ 10 74 1 1.8305 1.905 0.000 (0;000) ✗ 05/01/17
Ba2HN COD 4030485 R-3m (166) ✔ 4 26 1 1.046 1.336 0.000 (0;000) ✗ 05/01/17
PtCl2 ICSD 44512 Pnnm (58) ✔ 6 48 1 0.946 1.300 0.000 (0;000) ✗ 27/01/17
Ba2ZnN2 COD 1005020 I4/mmm (139) ✔ 5 42 1 0.4276 0.537 0.000 (0;000) ✗ 05/01/17
Ba2PdO3 COD 1000071 Immm (71) ✔ 6 56 1 0.0 0.488 0.043 (0;000) ✗ 05/01/17
Pb ICSD 105159 P6_3/mmc (194) ✔ 10 140 1 0.0 0.536 0.083 (0;000) ✗ 02/02/17