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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36612
  • 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: ['Ca', 'Hf', 'O']
  • Chemical System: Ca-Hf-O
  • Density: 6.476972468494518
  • Atomic Density: 0.07316238877509233
  • Unit Cell Volume: 68.34112559351286
  • Molar Volume: 8.231197560419458
  • Full Formula: Ca1 Hf1 O3
  • Reduced Formula: CaHfO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m