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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99859
  • 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: 2
  • Element list: ['Zr', 'Ta']
  • Chemical System: Ta-Zr
  • Density: 8.62685134359407
  • Atomic Density: 0.04571037511573154
  • Unit Cell Volume: 175.01497154082082
  • Molar Volume: 13.174559921577712
  • Full Formula: Zr6 Ta2
  • Reduced Formula: Zr3Ta
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm