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  1. Third-Parties
  2. MatprojStructure
  3. mp-558302

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-558302
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Bi', 'Br', 'O']
  • Chemical System: Bi-Br-O
  • Density: 7.7070669507525364
  • Atomic Density: 0.04878465947598044
  • Unit Cell Volume: 1065.9088442669702
  • Molar Volume: 12.344332879816562
  • Full Formula: Bi20 Br4 O28
  • Reduced Formula: Bi5BrO7
  • Formula Anonymous: AB5C7
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -307.33548716
  • Final energy per atom: -5.91029783
  • 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.