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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10075
  • 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: 16
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'As', 'O', 'F']
  • Chemical System: As-Ca-F-Mg-O
  • Density: 3.7163431797545194
  • Atomic Density: 0.08054082238741084
  • Unit Cell Volume: 198.65702293227298
  • Molar Volume: 7.477128469129349
  • Full Formula: Ca2 Mg2 As2 O8 F2
  • Reduced Formula: CaMgAsO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m