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  1. Third-Parties
  2. MatprojStructure
  3. mp-23965

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-23965
  • 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: 30
  • Number of elements: 4
  • Element list: ['Co', 'H', 'Br', 'O']
  • Chemical System: Br-Co-H-O
  • Density: 2.5587730819631673
  • Atomic Density: 0.07948333395045186
  • Unit Cell Volume: 377.4376150187828
  • Molar Volume: 7.576608152539335
  • Full Formula: Co2 H16 Br4 O8
  • Reduced Formula: CoH8(BrO2)2
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -148.36545769000003
  • Final energy per atom: -4.945515256333334
  • 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.