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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-46664
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'O']
  • Chemical System: Ca-Mn-O
  • Density: 3.6346227342768636
  • Atomic Density: 0.07476238002012793
  • Unit Cell Volume: 160.50853379425985
  • Molar Volume: 8.055041530752082
  • Full Formula: Ca5 Mn1 O6
  • Reduced Formula: Ca5MnO6
  • Formula Anonymous: AB5C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m