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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-48545
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'O']
  • Chemical System: Ca-Mn-O
  • Density: 3.7868333667514915
  • Atomic Density: 0.07628005996203423
  • Unit Cell Volume: 104.87668735422763
  • Molar Volume: 7.894777171120885
  • Full Formula: Ca3 Mn1 O4
  • Reduced Formula: Ca3MnO4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm