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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110563
  • 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: 7
  • Number of elements: 2
  • Element list: ['Mo', 'Cl']
  • Chemical System: Cl-Mo
  • Density: 2.9609726433814125
  • Atomic Density: 0.04043950208897877
  • Unit Cell Volume: 173.09807585162514
  • Molar Volume: 14.89172825805205
  • Full Formula: Mo1 Cl6
  • Reduced Formula: MoCl6
  • Formula Anonymous: AB6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m