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  1. Third-Parties
  2. MatprojStructure
  3. mp-23413

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-23413
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Nb', 'Bi', 'O']
  • Chemical System: Bi-Nb-O
  • Density: 6.9196288958741
  • Atomic Density: 0.06833466774228157
  • Unit Cell Volume: 351.21265373695786
  • Molar Volume: 8.812716822904585
  • Full Formula: Nb4 Bi4 O16
  • Reduced Formula: NbBiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -195.44972425
  • Final energy per atom: -8.143738510416666
  • 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.