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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-80061
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Al', 'O', 'P']
  • Chemical System: Al-O-P
  • Density: 1.7229905728381325
  • Atomic Density: 0.051049667750354535
  • Unit Cell Volume: 1410.391157726976
  • Molar Volume: 11.796630664571126
  • Full Formula: Al12 P12 O48
  • Reduced Formula: AlPO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 184
  • Spacegroup Symbol: P6cc
  • Crystal System: hexagonal
  • Pointgroup: 6mm