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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57155
  • 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: 15
  • Number of elements: 3
  • Element list: ['Ca', 'C', 'O']
  • Chemical System: C-Ca-O
  • Density: 2.670070490724088
  • Atomic Density: 0.08032789675681572
  • Unit Cell Volume: 186.73462900953234
  • Molar Volume: 7.496948137745221
  • Full Formula: Ca3 C3 O9
  • Reduced Formula: CaCO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321