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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111712
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Zr', 'Fe', 'C']
  • Chemical System: C-Fe-Zr
  • Density: 7.295797174199879
  • Atomic Density: 0.06786015261151043
  • Unit Cell Volume: 412.613277784622
  • Molar Volume: 8.874340136657054
  • Full Formula: Zr12 Fe12 C4
  • Reduced Formula: Zr3Fe3C
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m