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  1. Third-Parties
  2. MatprojStructure
  3. mp-1095679

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-1095679
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cu', 'Br', 'O']
  • Chemical System: Br-Cu-O
  • Density: 4.658786647390417
  • Atomic Density: 0.06601531086845683
  • Unit Cell Volume: 181.77601289966495
  • Molar Volume: 9.122339470611317
  • Full Formula: Cu4 Br2 O6
  • Reduced Formula: Cu2BrO3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -57.1264367
  • Final energy per atom: -4.760536391666666
  • 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.