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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1240691
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ca', 'P']
  • Chemical System: Ca-P
  • Density: 0.6321689870823077
  • Atomic Density: 0.011194288869220316
  • Unit Cell Volume: 535.9875977917212
  • Molar Volume: 53.796545991933506
  • Full Formula: Ca2 P4
  • Reduced Formula: CaP2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m