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  1. Third-Parties
  2. MatprojStructure
  3. mp-866664

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-866664
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 4
  • Element list: ['K', 'Zr', 'B', 'Br']
  • Chemical System: B-Br-K-Zr
  • Density: 3.635928509308382
  • Atomic Density: 0.031039122015595336
  • Unit Cell Volume: 1127.6092146683322
  • Molar Volume: 19.401775465730722
  • Full Formula: K8 Zr6 B1 Br20
  • Reduced Formula: K8Zr6BBr20
  • Formula Anonymous: AB6C8D20
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -165.35520229
  • Final energy per atom: -4.724434351142857
  • 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.