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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98004
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'O']
  • Chemical System: Ca-Mn-O
  • Density: 4.214811128904916
  • Atomic Density: 0.08903273511199043
  • Unit Cell Volume: 269.56377303035157
  • Molar Volume: 6.763962437439454
  • Full Formula: Ca6 Mn4 O14
  • Reduced Formula: Ca3Mn2O7
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm