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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-12441
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Ca', 'O', 'P']
  • Chemical System: Ca-O-P
  • Density: 2.6073999452453402
  • Atomic Density: 0.046132545471065066
  • Unit Cell Volume: 151.73669539632257
  • Molar Volume: 13.053996259055696
  • Full Formula: Ca4 P2 O1
  • Reduced Formula: Ca4P2O
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm