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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5353
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Al', 'P', 'S']
  • Chemical System: Al-P-S
  • Density: 2.034509747665225
  • Atomic Density: 0.03947722032332116
  • Unit Cell Volume: 303.9727696559983
  • Molar Volume: 15.254723383962322
  • Full Formula: Al2 P2 S8
  • Reduced Formula: AlPS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 16
  • Spacegroup Symbol: P222
  • Crystal System: orthorhombic
  • Pointgroup: 222