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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63820
  • 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: 14
  • Number of elements: 3
  • Element list: ['Zr', 'Ni', 'As']
  • Chemical System: As-Ni-Zr
  • Density: 8.294847652621577
  • Atomic Density: 0.07348448917132312
  • Unit Cell Volume: 190.51639547170473
  • Molar Volume: 8.195118218703088
  • Full Formula: Zr2 Ni8 As4
  • Reduced Formula: Zr(Ni2As)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm