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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12553
  • 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: 10
  • Number of elements: 4
  • Element list: ['Na', 'H', 'C', 'O']
  • Chemical System: C-H-Na-O
  • Density: 1.981202911457887
  • Atomic Density: 0.0877192501895024
  • Unit Cell Volume: 114.0000624537569
  • Molar Volume: 6.865244227453149
  • Full Formula: Na2 H2 C2 O4
  • Reduced Formula: NaHCO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m