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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86706
  • 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: 16
  • Number of elements: 2
  • Element list: ['Mo', 'Cl']
  • Chemical System: Cl-Mo
  • Density: 3.7656079176005717
  • Atomic Density: 0.04483862191033632
  • Unit Cell Volume: 356.8352308417319
  • Molar Volume: 13.430699926600019
  • Full Formula: Mo4 Cl12
  • Reduced Formula: MoCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m