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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1753909
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['As', 'B', 'Ca', 'O']
  • Chemical System: As-B-Ca-O
  • Density: 3.2430464896292333
  • Atomic Density: 0.08220104546768288
  • Unit Cell Volume: 218.97531713360814
  • Molar Volume: 7.326112126356822
  • Full Formula: Ca4 B3 As1 O10
  • Reduced Formula: Ca4B3AsO10
  • Formula Anonymous: AB3C4D10
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m