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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104032
  • 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: 28
  • Number of elements: 3
  • Element list: ['H', 'C', 'O']
  • Chemical System: C-H-O
  • Density: 1.3791587785888817
  • Atomic Density: 0.13197511809859594
  • Unit Cell Volume: 212.1612043497606
  • Molar Volume: 4.56308798716208
  • Full Formula: H16 C8 O4
  • Reduced Formula: H4C2O
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 79
  • Spacegroup Symbol: I4
  • Crystal System: tetragonal
  • Pointgroup: 4