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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32345
  • 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: 12
  • Number of elements: 3
  • Element list: ['Mo', 'Cl', 'O']
  • Chemical System: Cl-Mo-O
  • Density: 2.992376318334466
  • Atomic Density: 0.04260984113300236
  • Unit Cell Volume: 281.62508192751056
  • Molar Volume: 14.133215707616673
  • Full Formula: Mo2 Cl8 O2
  • Reduced Formula: MoCl4O
  • Formula Anonymous: ABC4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1