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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25627
  • 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: 44
  • Number of elements: 4
  • Element list: ['As', 'Cl', 'O', 'F']
  • Chemical System: As-Cl-F-O
  • Density: 3.037787095022727
  • Atomic Density: 0.054803184924125704
  • Unit Cell Volume: 802.8730458077833
  • Molar Volume: 10.988669305146361
  • Full Formula: As8 Cl12 O4 F20
  • Reduced Formula: As2Cl3OF5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m