Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Zn4H12C4N4O12	33	Pna21	P 2c -2n	Orthorhombic	3.51900 eV	CIF | POSCAR | LAMMPS	Materials Project
K2P2H10C4S2N6O8	2	P-1	-P 1	Triclinic	3.75960 eV	CIF | POSCAR | LAMMPS	Materials Project
Tm2H32C8N22O26	2	P-1	-P 1	Triclinic	3.20940 eV	CIF | POSCAR | LAMMPS	Materials Project
H24C8I2N2	129	P4/nmm	P 4ab 2ab -1ab	Tetragonal	4.17790 eV	CIF | POSCAR | LAMMPS	Materials Project
Li12La8H24N36O120	198	P213	P 2ac 2ab 3	Cubic	3.50980 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Ca8B36H32O80	14	P21/c	-P 2ybc	Monoclinic	5.14070 eV	CIF | POSCAR | LAMMPS	Materials Project
K1Ca4B22H18Cl1O46	1	P1	P 1	Triclinic	5.51010 eV	CIF | POSCAR | LAMMPS	Materials Project
Yb2K2P8H16O36	15	C2/c	-C 2yc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb4P4H8O16	14	P21/c	-P 2ybc	Monoclinic	4.46940 eV	CIF | POSCAR | LAMMPS	Materials Project
H12Pb4S8N12	14	P21/c	-P 2ybc	Monoclinic	1.90360 eV	CIF | POSCAR | LAMMPS	Materials Project
U2H24C4S4N12O26	15	C2/c	-C 2yc	Monoclinic	0.14500 eV	CIF | POSCAR | LAMMPS	Materials Project
Na12B20H8O40	29	Pca21	P 2c -2ac	Orthorhombic	4.65810 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4Zn4P8H20O32	14	P21/c	-P 2ybc	Monoclinic	0.19390 eV	CIF | POSCAR | LAMMPS	Materials Project
Cd4H16S8O20	14	P21/c	-P 2ybc	Monoclinic	3.11700 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H44C4N8O16	14	P21/c	-P 2ybc	Monoclinic	0.24760 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg2P4H24O22	2	P-1	-P 1	Triclinic	5.44330 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn2H32C12S4N8Cl4	15	C2/c	-C 2yc	Monoclinic	4.14050 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb2Li4H12N6	1	P1	P 1	Triclinic	1.93810 eV	CIF | POSCAR | LAMMPS	Materials Project
Cd1H18Se4N4O14	2	P-1	-P 1	Triclinic	3.56800 eV	CIF | POSCAR | LAMMPS	Materials Project
C24S12N24Cl8	14	P21/c	-P 2ybc	Monoclinic	0.49970 eV	CIF | POSCAR | LAMMPS	Materials Project