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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-74174
  • 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: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'Be']
  • Chemical System: Be-Ti-Zr
  • Density: 4.564961002137277
  • Atomic Density: 0.0699889228612463
  • Unit Cell Volume: 57.15190113627034
  • Molar Volume: 8.604419833605599
  • Full Formula: Zr1 Ti1 Be2
  • Reduced Formula: ZrTiBe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2