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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97780
  • 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: 56
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'O']
  • Chemical System: Al-Ca-O
  • Density: 2.9698585268078856
  • Atomic Density: 0.07921753387298519
  • Unit Cell Volume: 706.9142052539602
  • Molar Volume: 7.602030088005143
  • Full Formula: Ca8 Al16 O32
  • Reduced Formula: CaAl2O4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m