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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10010
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Ca', 'As', 'O']
  • Chemical System: As-Ca-O
  • Density: 3.5022949106555963
  • Atomic Density: 0.0678385480387642
  • Unit Cell Volume: 162.14969686135376
  • Molar Volume: 8.877166351730931
  • Full Formula: Ca2 As2 O7
  • Reduced Formula: Ca2As2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m