New search
About ...
CMR
Search
Help
Stoichiometry:
AB
ABC2
Number of chemical species:
1
2
3
Phase: ZB=zinckblende, WZ=wurtzite, KT=wz kesterite, ST=wz stannite, CP=zb chaclopyrite
ST
KT
CP
WZ
ZB
Found 123 rows out of 123, showing rows 1-25
Add column:
Crystal system
Derivative discontinuity (GLLB-SC) [eV]
Direct band gap (TB09) [eV]
E-hull [eV]
Effective electron mass [m
e
]
Effective hole mass [m
e
]
Energy [eV]
Formula
Kohn Sham band gap [eV]
Number of atoms
Number of species
Reduced formula
Stoichiometry
Total energy (mBEEF) [eV]
Uncertanty of the convex hull energy [eV]
Uncertanty of the total energy [eV]
Unique ID
Unit cell volume [Å
3
]
Short chemical formula
Phase
Indirect band gap (GLLB-SC) [eV]
Direct band gap (GLLB-SC) [eV]
Indirect band gap (TB09) [eV]
Energy per atom [eV]
ZnGeN2
ST
2.440
2.440
2.450
0.032
AlGaN2
ST
4.590
4.590
4.320
0.000
ZnSiN2
ST
4.520
4.550
3.900
0.054
AlGaAs2
ST
1.760
1.760
1.900
0.014
AlGaP2
ST
2.470
2.600
2.250
0.011
GaInN2
ST
1.320
1.320
1.700
0.005
AlInN2
ST
2.640
2.640
2.520
0.020
CdSiN2
ST
2.450
2.450
2.250
0.086
ZnGeP2
ST
0.880
0.950
1.010
0.030
CdGeN2
ST
1.150
1.150
1.450
0.062
GaInP2
ST
1.870
1.870
1.960
0.019
AlInP2
ST
2.620
2.810
2.250
0.017
AlInAs2
ST
1.550
1.550
1.680
0.018
GaInAs2
ST
0.270
0.270
0.910
0.019
CdSiAs2
ST
0.150
0.150
0.480
0.057
CdGeAs2
ST
0.000
0.000
0.040
0.046
ZnGeAs2
ST
0.070
0.070
0.410
0.032
ZnSnN2
ST
0.940
0.940
1.250
0.002
ZnSiAs2
ST
0.780
0.820
0.850
0.036
CdSiP2
ST
1.210
1.350
1.080
0.057
CdGeP2
ST
0.360
0.360
0.650
0.048
CdSnN2
ST
0.100
0.100
0.680
0.024
ZnSnAs2
ST
0.210
0.210
0.650
0.018
ZnSnP2
ST
1.390
1.390
1.350
0.015
CdSnP2
ST
0.750
0.750
0.920
0.031
«
<
1-25
26-50
51-75
>
»
