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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-629875
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 1
  • Number of elements: 1
  • Element list: ['Ca']
  • Chemical System: Ca
  • Density: 1.719887586701245
  • Atomic Density: 0.025843118773568787
  • Unit Cell Volume: 38.69502008491159
  • Molar Volume: 23.302685766236472
  • Full Formula: Ca1
  • Reduced Formula: Ca
  • Formula Anonymous: A
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm