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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1377646
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['C', 'Tl', 'Zr']
  • Chemical System: C-Tl-Zr
  • Density: 8.212642647776377
  • Atomic Density: 0.05910374656331987
  • Unit Cell Volume: 203.03281429281287
  • Molar Volume: 10.189101554752158
  • Full Formula: Zr6 Tl2 C4
  • Reduced Formula: Zr3TlC2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm