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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111325
  • 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: 3
  • Number of elements: 3
  • Element list: ['Zr', 'Be', 'B']
  • Chemical System: B-Be-Zr
  • Density: 5.245227247485535
  • Atomic Density: 0.08533534010830067
  • Unit Cell Volume: 35.1554232536326
  • Molar Volume: 7.057030243691757
  • Full Formula: Zr1 Be1 B1
  • Reduced Formula: ZrBeB
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2