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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1589574
  • Created at: Sept. 4, 2022, 3:57 p.m.
  • Last updated at: Sept. 4, 2022, 3:57 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['C', 'H']
  • Chemical System: C-H
  • Density: 2.572008856934846
  • Atomic Density: 0.18565011356009803
  • Unit Cell Volume: 32.31885984307626
  • Molar Volume: 3.243812052961946
  • Full Formula: H2 C4
  • Reduced Formula: HC2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m