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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57182
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 23
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'O']
  • Chemical System: Al-Ca-O
  • Density: 2.8594422687326237
  • Atomic Density: 0.07470088175213573
  • Unit Cell Volume: 307.8946253447995
  • Molar Volume: 8.061672926408027
  • Full Formula: Ca4 Al6 O13
  • Reduced Formula: Ca4Al6O13
  • Formula Anonymous: A4B6C13
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m