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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110953
  • 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: 8
  • Number of elements: 3
  • Element list: ['Zr', 'Nb', 'C']
  • Chemical System: C-Nb-Zr
  • Density: 6.808615609920696
  • Atomic Density: 0.0791130672057713
  • Unit Cell Volume: 101.12109519394794
  • Molar Volume: 7.612068363291424
  • Full Formula: Zr3 Nb1 C4
  • Reduced Formula: Zr3NbC4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m