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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1536277
  • Created at: Sept. 4, 2022, 3:55 p.m.
  • Last updated at: Sept. 4, 2022, 3:55 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cl', 'Mn', 'Pa']
  • Chemical System: Cl-Mn-Pa
  • Density: 11.415527361613252
  • Atomic Density: 0.08761170458103096
  • Unit Cell Volume: 114.14000044652855
  • Molar Volume: 6.873671490354579
  • Full Formula: Pa2 Mn2 Cl6
  • Reduced Formula: PaMnCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m