Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
K1Mg8Al17Si19O72	1	P1	P 1	Triclinic	3.79440 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4P4H28O26	15	C2/c	-C 2yc	Monoclinic	5.16780 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6Cu1P4H26O30	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr14Si2B6N2O26	173	P63	P 6c	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca10Ti6Nb2Al2Si10O50	2	P-1	-P 1	Triclinic	2.92160 eV	CIF | POSCAR | LAMMPS	Materials Project
Na13Ca7S12Cl1O48F2	1	P1	P 1	Triclinic	5.14930 eV	CIF | POSCAR | LAMMPS	Materials Project
H32Se8O40	61	Pbca	-P 2ac 2ab	Orthorhombic	3.51770 eV	CIF | POSCAR | LAMMPS	Materials Project
K6Na2P8H8O28	15	C2/c	-C 2yc	Monoclinic	4.54050 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu4P8H8O24	14	P21/c	-P 2ybc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
H48Cl8O52	14	P21/c	-P 2ybc	Monoclinic	5.25500 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4H24C8N16O16	14	P21/c	-P 2ybc	Monoclinic	4.65480 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8H40S8O32	14	P21/c	-P 2ybc	Monoclinic	3.97630 eV	CIF | POSCAR | LAMMPS	Materials Project
B4H16N4F16	62	Pnma	-P 2ac 2n	Orthorhombic	7.47090 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca10Ta2Ti6Al2Si10O50	2	P-1	-P 1	Triclinic	2.87490 eV	CIF | POSCAR | LAMMPS	Materials Project
H72Ru4N20Cl8O8	14	P21/c	-P 2ybc	Monoclinic	1.24950 eV	CIF | POSCAR | LAMMPS	Materials Project
B40H52C4S4N4	14	P21/c	-P 2ybc	Monoclinic	2.92490 eV	CIF | POSCAR | LAMMPS	Materials Project
B40H52C4S4N4	14	P21/c	-P 2ybc	Monoclinic	2.53860 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4B10H10O24	2	P-1	-P 1	Triclinic	0.06840 eV	CIF | POSCAR | LAMMPS	Materials Project
K8H8I16O48	14	P21/c	-P 2ybc	Monoclinic	3.35460 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Na2Ca4Ti2Si14H2O40	2	P-1	-P 1	Triclinic	3.42730 eV	CIF | POSCAR | LAMMPS	Materials Project