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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1729557
  • Created at: Sept. 4, 2022, 4:01 p.m.
  • Last updated at: Sept. 4, 2022, 4:01 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['C', 'H', 'Ti']
  • Chemical System: C-H-Ti
  • Density: 3.7700807764857744
  • Atomic Density: 0.1795688656052955
  • Unit Cell Volume: 50.120047089803464
  • Molar Volume: 3.353666427473609
  • Full Formula: Ti2 H6 C1
  • Reduced Formula: Ti2H6C
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m