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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87310
  • 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: 40
  • Number of elements: 5
  • Element list: ['Ca', 'B', 'H', 'Cl', 'O']
  • Chemical System: B-Ca-Cl-H-O
  • Density: 2.669570164343686
  • Atomic Density: 0.0969417748779597
  • Unit Cell Volume: 412.6188121721118
  • Molar Volume: 6.212121417811147
  • Full Formula: Ca4 B10 H4 Cl2 O20
  • Reduced Formula: Ca2B5H2ClO10
  • Formula Anonymous: AB2C2D5E10
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m