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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101667
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ta', 'Cr']
  • Chemical System: Cr-Ta-Zr
  • Density: 9.264347766929543
  • Atomic Density: 0.06971630943323906
  • Unit Cell Volume: 86.06307546651837
  • Molar Volume: 8.638065911631271
  • Full Formula: Zr1 Ta1 Cr4
  • Reduced Formula: ZrTaCr4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m