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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34284
  • 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: 9
  • Number of elements: 3
  • Element list: ['Na', 'C', 'O']
  • Chemical System: C-Na-O
  • Density: 2.5527078678829476
  • Atomic Density: 0.08237009907282396
  • Unit Cell Volume: 109.26294979981802
  • Molar Volume: 7.311076261636866
  • Full Formula: Na4 C1 O4
  • Reduced Formula: Na4CO4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m