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  1. Third-Parties
  2. MatprojStructure
  3. mp-1096943

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-1096943
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Cu', 'Br', 'O']
  • Chemical System: Br-Cu-O
  • Density: 5.535763093509574
  • Atomic Density: 0.07600426922190018
  • Unit Cell Volume: 52.628622588577215
  • Molar Volume: 7.923424330833189
  • Full Formula: Cu1 Br1 O2
  • Reduced Formula: CuBrO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -17.717417079999997
  • Final energy per atom: -4.429354269999999
  • 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.