Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
K3Li5Al6Si10O30F6	2	P-1	-P 1	Triclinic	0.24620 eV	CIF | POSCAR | LAMMPS	Materials Project
Pr16Si16N27Cl3O14	1	P1	P 1	Triclinic	0.12830 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6Ca4Fe10Si20O60	1	P1	P 1	Triclinic	0.03940 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba18Ca6Zr6W6O54	156	P3m1	P 3 -2"	Hexagonal	0.00200 eV	CIF | POSCAR | LAMMPS	Materials Project
Sc4H64I12O32	14	P21/c	-P 2ybc	Monoclinic	2.53030 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr4Re8H32C6N12O42	43	Fdd2	F 2 -2d	Orthorhombic	3.26220 eV	CIF | POSCAR | LAMMPS	Materials Project
Hg4H16C16N8Cl16	14	P21/c	-P 2ybc	Monoclinic	2.47040 eV	CIF | POSCAR | LAMMPS	Materials Project
Sb16H32C8S28N4	64	Cmca	-C 2bc 2	Orthorhombic	1.22020 eV	CIF | POSCAR | LAMMPS	Materials Project
Hg2H32C12N8Cl4	15	C2/c	-C 2yc	Monoclinic	3.77580 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe1Ge4H24C8S10N2	82	I-4	I -4	Tetragonal	0.26650 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H96C16N16Cl28	13	P2/c	-P 2yc	Monoclinic	0.14590 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr4H12C12O28	14	P21/c	-P 2ybc	Monoclinic	2.83620 eV	CIF | POSCAR | LAMMPS	Materials Project
In2H16C16N8Cl14	18	P21212	P 2 2ab	Orthorhombic	2.02910 eV	CIF | POSCAR | LAMMPS	Materials Project
Hg4H8C24N8Cl16	14	P21/c	-P 2ybc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn16P12H40C8N4O52	14	P21/c	-P 2ybc	Monoclinic	3.70430 eV	CIF | POSCAR | LAMMPS	Materials Project
Hg8H8C8N4Cl20	14	P21/c	-P 2ybc	Monoclinic	0.53350 eV	CIF | POSCAR | LAMMPS	Materials Project
Ru4H96C28S12N4Cl12O16	14	P21/c	-P 2ybc	Monoclinic	2.97030 eV	CIF | POSCAR | LAMMPS	Materials Project
Li2H40C16Br2O8	15	C2/c	-C 2yc	Monoclinic	4.64560 eV	CIF | POSCAR | LAMMPS	Materials Project
Li2H40C16Cl2O8	15	C2/c	-C 2yc	Monoclinic	4.92220 eV	CIF | POSCAR | LAMMPS	Materials Project
Li2As2H40C16O8	15	C2/c	-C 2yc	Monoclinic	0.37210 eV	CIF | POSCAR | LAMMPS	Materials Project