Internal database
The databases are calculated or generated by MICID group
Superhard Materials
A globally available database consists of 1,500 carbon allotropes and 20,000 B-C-N compounds with thermodynamic and mechanical properties, and continues to grow
Biocompatible Materials
A globally available database consists of biocompatible Zn-based and Mg-based alloys with over 20,000 calculated properties, and continues to grow
Low-dimensional Materials
A globally available database consists of MXenes and other low-dimensional materials with over 20,000 calculated properties, and continues to grow
ICSD-derived prototypes
A globally available database of ICSD-derived prototypes with 65 unary, 1,124 binary, and 7,000 ternary
PCD-derived prototypes
A globally available database of PCD-derived prototypes with 30 unary, 1,142 binary, and 17,510 ternary
ASM-derived prototypes
A globally available database of ASM-derived prototypes with 49 unary, 174 binary, and 200 ternary
External database
The databases are selectively derived from public databases
AFLOW Formation Enthalpy
(Binary Version)
A globally available aflow database for the optimized structures and calculated formation enthalpies of 300,000 binary and 2,000,000 ternary inorganic compounds
MP Formation Enthalpy
(Binary Version)
A globally available MP database for the optimized structures and calculated formation enthalpies of 20,627 binary and 66,634 ternary inorganic compounds
OQMD Formation Enthalpy
(Binary Version)
A globally available OQMD database for the optimized structures and calculated formation enthalpies of 100,000 binary and 500,000 ternary inorganic compounds
Materials Cloud
A globally available Materials Cloud database for the optimized structures and calculated properties for 353,388 inorganic compounds by different XC functionals
ANANT
A globally available ANANT database containing band gap and magnetization properties of around 23870 optimized MXenes structures
CMR C2DB
A globally available CMR-C2DB database containing structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 15733 two-dimensional (2D) materials