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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-72530
  • 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: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Be', 'Nb']
  • Chemical System: Be-Nb-Zr
  • Density: 5.711113175858143
  • Atomic Density: 0.0680530701830948
  • Unit Cell Volume: 58.777656749917625
  • Molar Volume: 8.849183062274202
  • Full Formula: Zr1 Be2 Nb1
  • Reduced Formula: ZrBe2Nb
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm