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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102192
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Nb', 'Al', 'B']
  • Chemical System: Al-B-Nb
  • Density: 5.559811071986195
  • Atomic Density: 0.10852746521345925
  • Unit Cell Volume: 82.92831664591247
  • Molar Volume: 5.548955509239289
  • Full Formula: Nb2 Al1 B6
  • Reduced Formula: Nb2AlB6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm