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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31890
  • 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: 30
  • Number of elements: 2
  • Element list: ['Mo', 'Cl']
  • Chemical System: Cl-Mo
  • Density: 3.207784350500732
  • Atomic Density: 0.040625796824246226
  • Unit Cell Volume: 738.4470544611065
  • Molar Volume: 14.823440352573897
  • Full Formula: Mo6 Cl24
  • Reduced Formula: MoCl4
  • Formula Anonymous: AB4
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m