Database of ABX2 materials

Found 123 rows out of 123, showing rows 1-25

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