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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-23364
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ca', 'F']
  • Chemical System: Ca-F
  • Density: 3.417766350675213
  • Atomic Density: 0.07908672850325678
  • Unit Cell Volume: 37.93303954754508
  • Molar Volume: 7.61460345366544
  • Full Formula: Ca1 F2
  • Reduced Formula: CaF2
  • Formula Anonymous: AB2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m