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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-4510
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Sc', 'P', 'S']
  • Chemical System: P-S-Sc
  • Density: 2.56134050254481
  • Atomic Density: 0.04532477889928298
  • Unit Cell Volume: 264.75584197918363
  • Molar Volume: 13.286641228591341
  • Full Formula: Sc2 P2 S8
  • Reduced Formula: ScPS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1