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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101441
  • 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: 8
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Mo']
  • Chemical System: Al-Mo-Zr
  • Density: 4.404312089794068
  • Atomic Density: 0.06078932372187912
  • Unit Cell Volume: 131.60205625253013
  • Molar Volume: 9.90657633822718
  • Full Formula: Zr1 Al6 Mo1
  • Reduced Formula: ZrAl6Mo
  • Formula Anonymous: ABC6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm