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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-680130
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Cr', 'O']
  • Chemical System: Ba-Cr-O
  • Density: 13.689861767268269
  • Atomic Density: 0.17369337386893247
  • Unit Cell Volume: 28.786360058691457
  • Molar Volume: 3.4671102448296365
  • Full Formula: Ba1 Cr1 O3
  • Reduced Formula: BaCrO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm