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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40499
  • 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: 21
  • Number of elements: 5
  • Element list: ['Rb', 'Ca', 'C', 'O', 'F']
  • Chemical System: C-Ca-F-O-Rb
  • Density: 3.1241081609968675
  • Atomic Density: 0.06438266232591026
  • Unit Cell Volume: 326.17476881736104
  • Molar Volume: 9.353668429421939
  • Full Formula: Rb3 Ca3 C3 O9 F3
  • Reduced Formula: RbCaCO3F
  • Formula Anonymous: ABCDE3
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m