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  1. Third-Parties
  2. MatprojStructure
  3. mp-863076

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-863076
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Nb', 'Bi', 'O']
  • Chemical System: Bi-Nb-O
  • Density: 6.185256277377665
  • Atomic Density: 0.061082384471150455
  • Unit Cell Volume: 98.22799243919223
  • Molar Volume: 9.859046617350522
  • Full Formula: Nb1 Bi1 O4
  • Reduced Formula: NbBiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -48.49755515
  • Final energy per atom: -8.082925858333333
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.