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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95310
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ca', 'Nb', 'O']
  • Chemical System: Ca-Nb-O
  • Density: 4.588720259364143
  • Atomic Density: 0.07726473894682175
  • Unit Cell Volume: 465.9305200626818
  • Molar Volume: 7.7941643783263155
  • Full Formula: Ca4 Nb8 O24
  • Reduced Formula: CaNb2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm