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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35613
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Zr', 'Tl', 'C']
  • Chemical System: C-Tl-Zr
  • Density: 8.871414950021757
  • Atomic Density: 0.05358002375663736
  • Unit Cell Volume: 149.3093776205909
  • Molar Volume: 11.239526110239904
  • Full Formula: Zr4 Tl2 C2
  • Reduced Formula: Zr2TlC
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm