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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35120
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Ca', 'O']
  • Chemical System: Ba-Ca-O
  • Density: 4.073729730896146
  • Atomic Density: 0.06103416015900416
  • Unit Cell Volume: 131.0741391240359
  • Molar Volume: 9.866836447509591
  • Full Formula: Ba1 Ca3 O4
  • Reduced Formula: BaCa3O4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m