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  1. Third-Parties
  2. MatprojStructure
  3. mp-561382

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-561382
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Nb', 'Bi', 'Br', 'O']
  • Chemical System: Bi-Br-Nb-O
  • Density: 8.042354413998009
  • Atomic Density: 0.05964937556564506
  • Unit Cell Volume: 938.81955123522
  • Molar Volume: 10.095899081747367
  • Full Formula: Nb4 Bi16 Br4 O32
  • Reduced Formula: NbBi4BrO8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -380.58392898
  • Final energy per atom: -6.796141588928571
  • 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.