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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10678
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'O']
  • Chemical System: Al-Ca-O
  • Density: 3.4328886707964688
  • Atomic Density: 0.0868968139141721
  • Unit Cell Volume: 207.14223213958778
  • Molar Volume: 6.930220440473297
  • Full Formula: Ca4 Al4 O10
  • Reduced Formula: Ca2Al2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2