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  1. Third-Parties
  2. MatprojStructure
  3. mp-555393

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-555393
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 4
  • Element list: ['K', 'Bi', 'Br', 'O']
  • Chemical System: Bi-Br-K-O
  • Density: 7.5109141551801555
  • Atomic Density: 0.050692253431426144
  • Unit Cell Volume: 2682.8556790037705
  • Molar Volume: 11.879804807151531
  • Full Formula: K8 Bi48 Br8 O72
  • Reduced Formula: KBi6BrO9
  • Formula Anonymous: ABC6D9
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -794.78819884
  • Final energy per atom: -5.844030873823529
  • 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.