Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Na2Ca8Si16H32O56F2	58	Pnnm	-P 2 2n	Orthorhombic	4.86880 eV	CIF | POSCAR | LAMMPS	Materials Project
H16Pt2N4Cl4O4	11	P21/m	-P 2yb	Monoclinic	2.42020 eV	CIF | POSCAR | LAMMPS	Materials Project
B12H12O24	62	Pnma	-P 2ac 2n	Orthorhombic	5.69770 eV	CIF | POSCAR | LAMMPS	Materials Project
Be4B24H64	14	P21/c	-P 2ybc	Monoclinic	3.49940 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Cu1H4C4O10	2	P-1	-P 1	Triclinic	0.78930 eV	CIF | POSCAR | LAMMPS	Materials Project
K8H8C8S8N8O4	62	Pnma	-P 2ac 2n	Orthorhombic	2.37120 eV	CIF | POSCAR | LAMMPS	Materials Project
Si2H20O8F12	14	P21/c	-P 2ybc	Monoclinic	6.59570 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4B12H12O28	14	P21/c	-P 2ybc	Monoclinic	5.74350 eV	CIF | POSCAR | LAMMPS	Materials Project
Zr2H28C4N16F12	14	P21/c	-P 2ybc	Monoclinic	4.62510 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Ge4H64Se12O32	14	P21/c	-P 2ybc	Monoclinic	2.14260 eV	CIF | POSCAR | LAMMPS	Materials Project
Na5H7Se4O18	2	P-1	-P 1	Triclinic	3.26620 eV	CIF | POSCAR | LAMMPS	Materials Project
Al4P12H8O40	14	P21/c	-P 2ybc	Monoclinic	5.74050 eV	CIF | POSCAR | LAMMPS	Materials Project
Zr4H28C4N16F20	62	Pnma	-P 2ac 2n	Orthorhombic	4.38330 eV	CIF | POSCAR | LAMMPS	Materials Project
H28Ru2S4N8O12	14	P21/c	-P 2ybc	Monoclinic	2.43490 eV	CIF | POSCAR | LAMMPS	Materials Project
Li4H24C6S2N12O14	15	C2/c	-C 2yc	Monoclinic	5.01790 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu2H40S4N4O28	14	P21/c	-P 2ybc	Monoclinic	0.43140 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba1Si1P4H2O14	2	P-1	-P 1	Triclinic	5.74830 eV	CIF | POSCAR | LAMMPS	Materials Project
Li4Cu4H16Cl12O8	14	P21/c	-P 2ybc	Monoclinic	0.30120 eV	CIF | POSCAR | LAMMPS	Materials Project
Nb12Zn12N4	227	Fd-3m	F 4d 2 3 -1d	Cubic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
K2Er2H2Se4O18	2	P-1	-P 1	Triclinic	0.20720 eV	CIF | POSCAR | LAMMPS	Materials Project