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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49820
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Hf', 'Zr', 'O']
  • Chemical System: Hf-O-Zr
  • Density: 7.193355054083634
  • Atomic Density: 0.07788652840474106
  • Unit Cell Volume: 77.03514488180438
  • Molar Volume: 7.731941432420326
  • Full Formula: Hf1 Zr1 O4
  • Reduced Formula: HfZrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm