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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99643
  • 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: 2
  • Element list: ['Zr', 'Ga']
  • Chemical System: Ga-Zr
  • Density: 6.9521382847505855
  • Atomic Density: 0.048768043038741084
  • Unit Cell Volume: 82.02092499021174
  • Molar Volume: 12.348538888911417
  • Full Formula: Zr3 Ga1
  • Reduced Formula: Zr3Ga
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m