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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59044
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ca', 'Nb', 'O']
  • Chemical System: Ca-Nb-O
  • Density: 5.329244524034999
  • Atomic Density: 0.07749680765209802
  • Unit Cell Volume: 361.30520531502145
  • Molar Volume: 7.770824299027711
  • Full Formula: Ca4 Nb8 O16
  • Reduced Formula: CaNb2O4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm