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  1. Third-Parties
  2. MatprojStructure
  3. mp-555866

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-555866
  • 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: 70
  • Number of elements: 4
  • Element list: ['K', 'Be', 'C', 'O']
  • Chemical System: Be-C-K-O
  • Density: 2.0825218014357887
  • Atomic Density: 0.06787525377056203
  • Unit Cell Volume: 1031.3036948137274
  • Molar Volume: 8.872365737823355
  • Full Formula: K12 Be8 C12 O38
  • Reduced Formula: K6Be4C6O19
  • Formula Anonymous: A4B6C6D19
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -504.86925048
  • Final energy per atom: -7.212417864
  • 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.