Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-22033
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Ca', 'Ga', 'S']
  • Chemical System: Ca-Ga-S
  • Density: 3.310859338095854
  • Atomic Density: 0.04534648547106016
  • Unit Cell Volume: 1234.9358372158488
  • Molar Volume: 13.28028114514694
  • Full Formula: Ca8 Ga16 S32
  • Reduced Formula: Ca(GaS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm