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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-32452
  • Created at: Sept. 4, 2022, 3:32 p.m.
  • Last updated at: Sept. 4, 2022, 3:32 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 312
  • Number of elements: 3
  • Element list: ['Ca', 'O', 'P']
  • Chemical System: Ca-O-P
  • Density: 2.952523320227538
  • Atomic Density: 0.07452095067281245
  • Unit Cell Volume: 4186.742079685079
  • Molar Volume: 8.0811378620765
  • Full Formula: Ca72 P48 O192
  • Reduced Formula: Ca3(PO4)2
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m