▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▴ gap |
▹ dir. gap |
▹ met. |
▹ ν |
wcc |
▹ updated |
GaCl3 |
ICSD |
30336 |
P-1 (2) |
✔ |
8 |
68 |
1 |
0.0 |
0.013 |
0.056 |
(1;000) |
✗ |
06/10/16 |
LaSi |
ICSD |
408030 |
Ccmm (63) |
✔ |
8 |
28 |
3 |
0.0 |
0.019 |
0.484 |
(0;000) |
✗ |
06/10/16 |
InAs |
ICSD |
165462 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.009 |
(1;000) |
✔ |
06/10/16 |
TiCl3 |
ICSD |
38236 |
R-3 (148) |
✔ |
8 |
66 |
2 |
0.0 |
0.009 |
0.695 |
(0;000) |
✗ |
06/10/16 |
OsCl4 |
ICSD |
1165 |
Cmmm (65) |
✔ |
5 |
44 |
1 |
0.0 |
0.322 |
0.353 |
(0;000) |
✗ |
06/10/16 |
MnN |
ICSD |
184928 |
P6_3mc (186) |
✗ |
4 |
40 |
3 |
0.0 |
0.027 |
0.121 |
(0;000) |
✔ |
06/10/16 |
MoCl5 |
ICSD |
84620 |
P-1 (2) |
✔ |
12 |
98 |
1 |
0.0 |
0.021 |
0.413 |
(1;110) |
✗ |
06/10/16 |
MoC |
ICSD |
183166 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.417 |
(0;000) |
✔ |
06/10/16 |
TaP2 |
ICSD |
648187 |
C2/m (12) |
✔ |
6 |
46 |
3 |
0.0 |
0.128 |
0.155 |
(0;001) |
✗ |
06/10/16 |
TeO2 |
ICSD |
166848 |
Ccmm (63) |
✔ |
6 |
36 |
3 |
0.0 |
0.511 |
0.006 |
(0;000) |
✗ |
06/10/16 |
CoSb2 |
ICSD |
624899 |
Pnnm (58) |
✔ |
6 |
54 |
3 |
0.0 |
0.000 |
0.933 |
(0;000) |
✗ |
27/01/17 |
CoTe2 |
ICSD |
25678 |
Pmnn (58) |
✔ |
6 |
42 |
3 |
0.0 |
0.000 |
0.783 |
(0;000) |
✗ |
06/10/16 |
Zr3Co |
ICSD |
102741 |
Cmcm (63) |
✔ |
8 |
90 |
3 |
0.0 |
0.000 |
0.848 |
(1;110) |
✗ |
06/10/16 |
Co2N |
ICSD |
152812 |
Pmnn (58) |
✔ |
6 |
46 |
3 |
0.0 |
0.000 |
0.848 |
(1;000) |
✗ |
06/10/16 |
CrP |
ICSD |
42079 |
Pmnb (62) |
✔ |
8 |
76 |
3 |
0.0 |
0.000 |
0.349 |
(1;011) |
✗ |
06/10/16 |
CrSb2 |
ICSD |
246891 |
Pmnn (58) |
✔ |
6 |
48 |
3 |
0.0 |
0.000 |
0.365 |
(1;101) |
✗ |
06/10/16 |
CrTe |
ICSD |
93161 |
Pmnb (62) |
✔ |
8 |
80 |
3 |
0.0 |
0.004 |
0.470 |
(1;000) |
✗ |
06/10/16 |
Cr2S3 |
ICSD |
16721 |
R-3 (148) |
✔ |
10 |
92 |
3 |
0.0 |
0.013 |
0.353 |
(1;111) |
✗ |
06/10/16 |
Cr2Se3 |
ICSD |
106520 |
R-3 (148) |
✔ |
10 |
92 |
3 |
0.0 |
0.011 |
0.356 |
(1;000) |
✗ |
06/10/16 |
CuO2 |
ICSD |
150913 |
Ccmm (63) |
✔ |
6 |
46 |
1 |
0.0 |
0.000 |
0.927 |
(0;110) |
✗ |
06/10/16 |
CuS2 |
ICSD |
628782 |
Pnnm (58) |
✔ |
6 |
46 |
3 |
0.0 |
0.000 |
0.970 |
(0;110) |
✗ |
27/01/17 |
CuSe2 |
ICSD |
242 |
Pmnn (58) |
✔ |
6 |
46 |
3 |
0.0 |
0.000 |
0.939 |
(0;000) |
✗ |
06/10/16 |
CuTe |
ICSD |
42592 |
Pmmn (59) |
✔ |
4 |
34 |
1 |
0.0 |
0.000 |
0.952 |
(1;010) |
✗ |
02/02/17 |
GeS |
ICSD |
155418 |
Cmcm (63) |
✔ |
4 |
20 |
3 |
0.0 |
0.012 |
0.256 |
(0;000) |
✗ |
06/10/16 |
YCu |
ICSD |
185943 |
Pmnb (62) |
✔ |
8 |
88 |
3 |
0.0 |
0.006 |
0.197 |
(1;000) |
✗ |
06/10/16 |
TiCu2 |
ICSD |
629379 |
Ccmm (63) |
✔ |
6 |
68 |
3 |
0.0 |
0.012 |
0.073 |
(1;000) |
✗ |
06/10/16 |
ZrCu2 |
ICSD |
191405 |
Cmcm (63) |
✔ |
6 |
68 |
3 |
0.0 |
0.010 |
0.168 |
(1;000) |
✗ |
06/10/16 |
Cu3Ge |
ICSD |
86003 |
Pnmm (59) |
✔ |
8 |
74 |
3 |
0.0 |
0.000 |
0.913 |
(1;000) |
✗ |
06/10/16 |
Cu3Sb |
ICSD |
44479 |
Pmmn (59) |
✔ |
8 |
76 |
3 |
0.0 |
0.003 |
0.193 |
(1;000) |
✗ |
27/01/17 |
Cu3Sb |
ICSD |
628990 |
Pmnm (59) |
✔ |
8 |
76 |
3 |
0.0 |
0.012 |
0.233 |
(1;000) |
✗ |
06/10/16 |
Cu3Sn |
ICSD |
150503 |
Pmnm (59) |
✔ |
8 |
94 |
3 |
0.0 |
0.000 |
0.939 |
(0;000) |
✗ |
06/10/16 |
TiCu3 |
ICSD |
107712 |
Pmmn (59) |
✔ |
8 |
90 |
3 |
0.0 |
0.000 |
0.795 |
(1;000) |
✗ |
27/01/17 |
Hg4Pt |
ICSD |
639148 |
Im-3m (229) |
✔ |
5 |
58 |
3 |
0.0 |
0.659 |
0.309 |
(0;000) |
✗ |
27/01/17 |
HgTe |
ICSD |
162604 |
Ccmm (63) |
✔ |
4 |
36 |
3 |
0.0 |
0.055 |
0.417 |
(0;110) |
✗ |
06/10/16 |
TlN |
ICSD |
184575 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.012 |
0.003 |
(1;000) |
✔ |
06/10/16 |
SiPt3 |
ICSD |
246170 |
C2/m (12) |
✔ |
8 |
68 |
3 |
0.0 |
0.131 |
0.074 |
(0;000) |
✔ |
27/01/17 |
NiF2 |
ICSD |
34307 |
Pmnn (58) |
✔ |
6 |
48 |
3 |
0.0 |
0.017 |
0.293 |
(0;000) |
✗ |
06/10/16 |
NiAs |
ICSD |
655881 |
Ccm2_1 (36) |
✗ |
4 |
30 |
3 |
0.0 |
0.000 |
0.753 |
(0;110) |
✔ |
06/10/16 |
NiF3 |
ICSD |
87943 |
R-3 (148) |
✔ |
8 |
62 |
3 |
0.0 |
0.000 |
0.663 |
(0;000) |
✗ |
27/01/17 |
VN |
ICSD |
191061 |
P-6m2 (187) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.163 |
(1;100) |
✔ |
06/10/16 |
FeO |
ICSD |
82236 |
R-3m (166) |
✔ |
2 |
14 |
3 |
0.0 |
0.086 |
0.246 |
(0;000) |
✗ |
06/10/16 |
VN |
ICSD |
236783 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.388 |
(1;000) |
✔ |
06/10/16 |
OsC |
ICSD |
185996 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.0 |
0.341 |
0.015 |
(0;000) |
✔ |
06/10/16 |
SrSi |
ICSD |
160107 |
Pmnb (62) |
✔ |
8 |
56 |
1 |
0.0 |
0.008 |
0.102 |
(1;000) |
✗ |
06/10/16 |
TaAs |
ICSD |
44068 |
I4_1md (109) |
✗ |
4 |
36 |
3 |
0.0 |
0.041 |
0.008 |
(1;001) |
✔ |
06/10/16 |
FeSe |
ICSD |
182545 |
Cmme (67) |
✔ |
4 |
28 |
2 |
0.0 |
0.020 |
0.084 |
(0;000) |
✗ |
06/10/16 |
NO |
ICSD |
27871 |
P2_1/c (14) |
✔ |
8 |
44 |
1 |
0.0 |
0.002 |
0.048 |
(0;010) |
✔ |
27/01/17 |
SrPb |
ICSD |
105623 |
Cmcm (63) |
✔ |
4 |
48 |
1 |
0.0 |
0.038 |
0.256 |
(0;110) |
✗ |
06/10/16 |
FeTe2 |
ICSD |
86518 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.0 |
0.691 |
0.013 |
(0;000) |
✗ |
06/10/16 |
Zr3Fe |
ICSD |
106700 |
Cmcm (63) |
✔ |
8 |
88 |
3 |
0.0 |
0.009 |
0.702 |
(1;000) |
✗ |
06/10/16 |
Fe2N |
ICSD |
150889 |
Pcnb (60) |
✔ |
12 |
84 |
3 |
0.0 |
0.001 |
0.653 |
(0;101) |
✗ |
06/10/16 |
LaGa |
ICSD |
423623 |
Cmcm (63) |
✔ |
4 |
32 |
3 |
0.0 |
0.008 |
0.299 |
(1;000) |
✗ |
06/10/16 |
Li2Ga |
ICSD |
100051 |
Cmcm (63) |
✔ |
6 |
38 |
1 |
0.0 |
0.000 |
0.778 |
(1;110) |
✗ |
06/10/16 |
ScGa |
ICSD |
103954 |
Cmcm (63) |
✔ |
4 |
48 |
3 |
0.0 |
0.003 |
0.442 |
(1;000) |
✗ |
06/10/16 |
YGa |
ICSD |
104030 |
Cmcm (63) |
✔ |
4 |
48 |
3 |
0.0 |
0.001 |
0.461 |
(1;000) |
✗ |
06/10/16 |
PtN2 |
ICSD |
290445 |
P-6m2 (187) |
✗ |
3 |
20 |
3 |
0.0 |
0.007 |
0.161 |
(1;100) |
✔ |
06/10/16 |
ReN2 |
ICSD |
187441 |
C2/m (12) |
✔ |
6 |
50 |
3 |
0.0 |
0.405 |
0.171 |
(0;000) |
✔ |
06/10/16 |
ScGa2 |
ICSD |
103956 |
Cmmm (65) |
✔ |
6 |
74 |
3 |
0.0 |
0.017 |
0.510 |
(1;001) |
✗ |
06/10/16 |
ReN2 |
ICSD |
187448 |
Pm (6) |
✗ |
6 |
50 |
3 |
0.0 |
0.009 |
0.644 |
(1;000) |
✔ |
06/10/16 |
ZrGa2 |
ICSD |
104041 |
Cmmm (65) |
✔ |
6 |
76 |
3 |
0.0 |
0.016 |
0.470 |
(1;110) |
✗ |
06/10/16 |
Ti2Ga3 |
ICSD |
103995 |
P4/m (83) |
✔ |
10 |
126 |
3 |
0.0 |
0.000 |
0.704 |
(1;111) |
✗ |
06/10/16 |
Mg3Ge |
ICSD |
70070 |
P-1 (2) |
✔ |
8 |
68 |
1 |
0.0 |
0.000 |
0.605 |
(0;000) |
✗ |
06/10/16 |
GeIr |
ICSD |
52126 |
Pmnb (62) |
✔ |
8 |
52 |
3 |
0.0 |
0.001 |
0.568 |
(0;011) |
✗ |
06/10/16 |
LaGe |
ICSD |
413736 |
Ccmm (63) |
✔ |
8 |
28 |
3 |
0.0 |
0.028 |
0.459 |
(0;000) |
✗ |
06/10/16 |
Ni2Ge |
ICSD |
637346 |
P6_3/mmc (194) |
✔ |
6 |
48 |
3 |
0.0 |
0.005 |
0.733 |
(0;000) |
✗ |
06/10/16 |
RuC |
ICSD |
43671 |
P-6m2 (187) |
✗ |
2 |
20 |
3 |
0.0 |
0.015 |
0.329 |
(0;000) |
✔ |
06/10/16 |
GePd |
ICSD |
659798 |
Pmnb (62) |
✔ |
8 |
56 |
3 |
0.0 |
0.023 |
0.396 |
(0;000) |
✗ |
06/10/16 |
GePt |
ICSD |
2624 |
Pmnb (62) |
✔ |
8 |
56 |
3 |
0.0 |
0.038 |
0.320 |
(0;000) |
✗ |
06/10/16 |
GeRh |
ICSD |
44861 |
Pmnb (62) |
✔ |
8 |
84 |
3 |
0.0 |
0.005 |
0.264 |
(0;011) |
✗ |
06/10/16 |
NiO |
ICSD |
246910 |
R-3m (166) |
✔ |
2 |
16 |
3 |
0.0 |
0.000 |
0.631 |
(0;000) |
✔ |
06/10/16 |
ScGe |
ICSD |
42947 |
Cmcm (63) |
✔ |
4 |
30 |
3 |
0.0 |
0.000 |
0.729 |
(0;110) |
✗ |
06/10/16 |
CrP4 |
ICSD |
2790 |
C2/c (15) |
✔ |
10 |
68 |
2 |
0.0 |
0.022 |
0.114 |
(1;000) |
✔ |
27/01/17 |
SrSn |
ICSD |
106073 |
Cmcm (63) |
✔ |
4 |
48 |
1 |
0.0 |
0.058 |
0.207 |
(0;110) |
✗ |
06/10/16 |
SrGe |
ICSD |
43099 |
Cmcm (63) |
✔ |
4 |
28 |
1 |
0.0 |
0.034 |
0.168 |
(0;110) |
✗ |
06/10/16 |
GeTe |
ICSD |
638005 |
Pnma (62) |
✔ |
8 |
40 |
2 |
0.0 |
0.104 |
0.027 |
(0;000) |
✗ |
02/02/17 |
Ti3Ge |
ICSD |
189707 |
Fm-3m (225) |
✔ |
4 |
40 |
3 |
0.0 |
0.000 |
0.753 |
(1;000) |
✗ |
06/10/16 |
YGe |
ICSD |
42948 |
Cmcm (63) |
✔ |
4 |
30 |
3 |
0.0 |
0.000 |
0.739 |
(0;110) |
✗ |
06/10/16 |
ZrGe |
ICSD |
638153 |
Pmnb (62) |
✔ |
8 |
64 |
3 |
0.0 |
0.018 |
0.088 |
(1;000) |
✗ |
06/10/16 |
HfGe2 |
ICSD |
16698 |
Cmcm (63) |
✔ |
6 |
40 |
3 |
0.0 |
0.016 |
0.222 |
(1;000) |
✗ |
06/10/16 |
Ge2Pt |
ICSD |
43684 |
Pnnm (58) |
✔ |
6 |
36 |
3 |
0.0 |
0.028 |
0.179 |
(0;000) |
✗ |
27/01/17 |
ScGe2 |
ICSD |
637830 |
Cmcm (63) |
✔ |
6 |
38 |
3 |
0.0 |
0.000 |
0.822 |
(0;000) |
✗ |
06/10/16 |
TiGe2 |
ICSD |
638050 |
Fddd (70) |
✔ |
6 |
40 |
3 |
0.0 |
0.011 |
0.439 |
(1;000) |
✗ |
06/10/16 |
ZrGe2 |
ICSD |
16696 |
Cmcm (63) |
✔ |
6 |
40 |
3 |
0.0 |
0.014 |
0.240 |
(1;110) |
✗ |
06/10/16 |
ZrGe2 |
ICSD |
56054 |
Ccmm (63) |
✔ |
6 |
40 |
3 |
0.0 |
0.008 |
0.234 |
(1;000) |
✗ |
06/10/16 |
YGe3 |
ICSD |
88075 |
Cmcm (63) |
✔ |
8 |
46 |
3 |
0.0 |
0.000 |
0.736 |
(0;000) |
✗ |
27/01/17 |
Ti2H |
ICSD |
168323 |
Pn-3m (224) |
✔ |
6 |
50 |
3 |
0.0 |
0.000 |
0.818 |
(1;000) |
✗ |
06/10/16 |
Y3H2 |
ICSD |
152861 |
P6_3/mmc (194) |
✔ |
10 |
70 |
3 |
0.0 |
0.000 |
0.932 |
(0;000) |
✗ |
06/10/16 |
HBr |
ICSD |
28842 |
Fmmm (69) |
✔ |
2 |
8 |
1 |
0.0 |
0.014 |
0.282 |
(0;000) |
✗ |
06/10/16 |
HCl |
ICSD |
28844 |
Fmmm (69) |
✔ |
2 |
8 |
1 |
0.0 |
0.033 |
0.154 |
(1;000) |
✗ |
06/10/16 |
TiH |
ICSD |
168325 |
P4_2/mmc (131) |
✔ |
4 |
26 |
3 |
0.0 |
0.000 |
0.512 |
(0;011) |
✗ |
06/10/16 |
ZrH |
ICSD |
169451 |
P4_2/mmc (131) |
✔ |
4 |
26 |
3 |
0.0 |
0.000 |
0.564 |
(0;011) |
✗ |
06/10/16 |
HfH2 |
ICSD |
24721 |
I4/mmm (139) |
✔ |
3 |
14 |
3 |
0.0 |
0.155 |
0.144 |
(0;000) |
✗ |
27/01/17 |
ZrH2 |
ICSD |
24624 |
I4/mmm (139) |
✔ |
3 |
14 |
3 |
0.0 |
0.045 |
0.153 |
(0;000) |
✗ |
06/10/16 |
YH3 |
ICSD |
180317 |
Cmcm (63) |
✔ |
8 |
28 |
3 |
0.0 |
0.036 |
0.026 |
(1;000) |
✗ |
06/10/16 |
GeH4 |
ICSD |
183081 |
Cmmm (65) |
✔ |
5 |
8 |
3 |
0.0 |
0.030 |
0.655 |
(1;110) |
✗ |
06/10/16 |
HfIr |
ICSD |
185633 |
Pmmb (51) |
✔ |
4 |
42 |
3 |
0.0 |
0.000 |
0.688 |
(1;100) |
✗ |
06/10/16 |
HfNi |
ICSD |
638689 |
Cmcm (63) |
✔ |
4 |
44 |
3 |
0.0 |
0.060 |
0.384 |
(1;000) |
✗ |
27/01/17 |
HfPd |
ICSD |
185631 |
Ccmm (63) |
✔ |
4 |
44 |
3 |
0.0 |
0.024 |
0.295 |
(1;000) |
✗ |
06/10/16 |
HfPd5 |
ICSD |
168289 |
Cmmm (65) |
✔ |
6 |
62 |
2 |
0.0 |
0.001 |
0.683 |
(1;111) |
✗ |
06/10/16 |
HfCuSn |
ICSD |
190121 |
P6_3mc (186) |
✗ |
6 |
74 |
3 |
0.0 |
0.000 |
0.548 |
(1;001) |
✔ |
05/12/16 |
Plotting...