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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98097
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'C']
  • Chemical System: Al-C-Zr
  • Density: 5.099204022864857
  • Atomic Density: 0.0814597810481735
  • Unit Cell Volume: 270.07192650063337
  • Molar Volume: 7.392777985050857
  • Full Formula: Zr6 Al6 C10
  • Reduced Formula: Zr3Al3C5
  • Formula Anonymous: A3B3C5
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm