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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32220
  • 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: 20
  • Number of elements: 3
  • Element list: ['Mo', 'Cl', 'O']
  • Chemical System: Cl-Mo-O
  • Density: 3.171210458613793
  • Atomic Density: 0.04374167599935706
  • Unit Cell Volume: 457.2298510074001
  • Molar Volume: 13.767512612201957
  • Full Formula: Mo4 Cl12 O4
  • Reduced Formula: MoCl3O
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m