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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29760
  • 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: 36
  • Number of elements: 2
  • Element list: ['Mo', 'Cl']
  • Chemical System: Cl-Mo
  • Density: 3.7356631752695226
  • Atomic Density: 0.04045051631060258
  • Unit Cell Volume: 889.9762792536707
  • Molar Volume: 14.887673407574091
  • Full Formula: Mo12 Cl24
  • Reduced Formula: MoCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm