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  1. Third-Parties
  2. MatprojStructure
  3. mp-3919

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-3919
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['K', 'B', 'O']
  • Chemical System: B-K-O
  • Density: 2.2617918140545954
  • Atomic Density: 0.06651761512602337
  • Unit Cell Volume: 360.8066818771227
  • Molar Volume: 9.053452605885726
  • Full Formula: K6 B6 O12
  • Reduced Formula: KBO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -169.69805556
  • Final energy per atom: -7.070752315
  • 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.