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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49954
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Ca', 'As', 'H', 'O']
  • Chemical System: As-Ca-H-O
  • Density: 2.5158413761525047
  • Atomic Density: 0.09117000649862846
  • Unit Cell Volume: 285.1815086839019
  • Molar Volume: 6.6053968747831515
  • Full Formula: Ca2 As2 H10 O12
  • Reduced Formula: CaAsH5O6
  • Formula Anonymous: ABC5D6
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m