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  1. Third-Parties
  2. MatprojStructure
  3. mp-550763

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-550763
  • 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: 32
  • Number of elements: 4
  • Element list: ['Co', 'Sb', 'Br', 'O']
  • Chemical System: Br-Co-O-Sb
  • Density: 4.652824481842632
  • Atomic Density: 0.04393054081195468
  • Unit Cell Volume: 728.4226282798672
  • Molar Volume: 13.708323750845366
  • Full Formula: Co4 Sb8 Br8 O12
  • Reduced Formula: CoSb2Br2O3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -180.79148819
  • Final energy per atom: -5.6497340059375
  • 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.