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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62553
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Be', 'B', 'O', 'F']
  • Chemical System: B-Be-Ca-F-Na-O
  • Density: 2.710099279317867
  • Atomic Density: 0.09745479209116409
  • Unit Cell Volume: 266.79036958673413
  • Molar Volume: 6.17941984255283
  • Full Formula: Na2 Ca2 Be4 B4 O12 F2
  • Reduced Formula: NaCaBe2B2O6F
  • Formula Anonymous: ABCD2E2F6
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m