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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103024
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'Mo']
  • Chemical System: Mo-Ti-Zr
  • Density: 8.194049315885868
  • Atomic Density: 0.056626899508692805
  • Unit Cell Volume: 105.95671053964271
  • Molar Volume: 10.634770422271734
  • Full Formula: Zr1 Ti1 Mo4
  • Reduced Formula: ZrTiMo4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m