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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21251
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'O']
  • Chemical System: Al-Ca-O
  • Density: 2.8323621554812535
  • Atomic Density: 0.07872409191237739
  • Unit Cell Volume: 304.8622018620783
  • Molar Volume: 7.649679550070706
  • Full Formula: Ca2 Al8 O14
  • Reduced Formula: CaAl4O7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m