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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121051
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ga', 'P', 'S']
  • Chemical System: Ga-P-S
  • Density: 3.325098959824534
  • Atomic Density: 0.05247509741751031
  • Unit Cell Volume: 114.3399497148503
  • Molar Volume: 11.47618786123584
  • Full Formula: Ga1 P1 S4
  • Reduced Formula: GaPS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm