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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101071
  • 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', 'Nb', 'Al']
  • Chemical System: Al-Nb-Zr
  • Density: 4.258783270874832
  • Atomic Density: 0.0592960432821999
  • Unit Cell Volume: 134.91625338180907
  • Molar Volume: 10.156058358463502
  • Full Formula: Zr1 Nb1 Al6
  • Reduced Formula: ZrNbAl6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm