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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96980
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'O']
  • Chemical System: Ca-Mn-O
  • Density: 4.208319483981882
  • Atomic Density: 0.08889560704499119
  • Unit Cell Volume: 134.9897975715116
  • Molar Volume: 6.774396351162909
  • Full Formula: Ca3 Mn2 O7
  • Reduced Formula: Ca3Mn2O7
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm