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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-14742
  • Created at: Sept. 4, 2022, 3:18 p.m.
  • Last updated at: Sept. 4, 2022, 3:18 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 35
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'N', 'Na']
  • Chemical System: Ba-Ca-N-Na
  • Density: 2.8156265127243074
  • Atomic Density: 0.025055951008670627
  • Unit Cell Volume: 1396.8737402099896
  • Molar Volume: 24.034772249977795
  • Full Formula: Ba14 Na14 Ca1 N6
  • Reduced Formula: Ba14Na14CaN6
  • Formula Anonymous: AB6C14D14
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m