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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-4943
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ca', 'P']
  • Chemical System: Ca-P
  • Density: 2.4489757038723816
  • Atomic Density: 0.04151361203860413
  • Unit Cell Volume: 289.0618139621534
  • Molar Volume: 14.50642443350851
  • Full Formula: Ca6 P6
  • Reduced Formula: CaP
  • Formula Anonymous: AB
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m