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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-338645
  • Created at: Sept. 4, 2022, 3:04 p.m.
  • Last updated at: Sept. 4, 2022, 3:04 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['C', 'H']
  • Chemical System: C-H
  • Density: 1.599355827457766
  • Atomic Density: 0.14796546984332307
  • Unit Cell Volume: 13.516667112386086
  • Molar Volume: 4.069963597842587
  • Full Formula: H1 C1
  • Reduced Formula: HC
  • Formula Anonymous: AB
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm