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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-94296
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['C', 'O']
  • Chemical System: C-O
  • Density: 3.1627067865585077
  • Atomic Density: 0.12983286875227795
  • Unit Cell Volume: 46.21325907423368
  • Molar Volume: 4.6383791853897085
  • Full Formula: C2 O4
  • Reduced Formula: CO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m