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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36637
  • 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: 5
  • Number of elements: 3
  • Element list: ['Mg', 'Zr', 'O']
  • Chemical System: Mg-O-Zr
  • Density: 3.9261443878207287
  • Atomic Density: 0.07229315415328841
  • Unit Cell Volume: 69.16284202233227
  • Molar Volume: 8.33016740040256
  • Full Formula: Mg1 Zr1 O3
  • Reduced Formula: MgZrO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m