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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51763
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ca', 'H', 'O']
  • Chemical System: Ca-H-O
  • Density: 2.577051316153141
  • Atomic Density: 0.10472941306064673
  • Unit Cell Volume: 190.96831936237814
  • Molar Volume: 5.750190499504373
  • Full Formula: Ca4 H8 O8
  • Reduced Formula: Ca(HO)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m