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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99892
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'B']
  • Chemical System: B-Ti-Zr
  • Density: 5.324753381788125
  • Atomic Density: 0.10551922907339428
  • Unit Cell Volume: 56.86167395922385
  • Molar Volume: 5.70715007386121
  • Full Formula: Zr1 Ti1 B4
  • Reduced Formula: ZrTiB4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm