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  1. Third-Parties
  2. MatprojStructure
  3. mp-540725

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-540725
  • 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: 49
  • Number of elements: 5
  • Element list: ['Cs', 'Be', 'Al', 'B', 'O']
  • Chemical System: Al-B-Be-Cs-O
  • Density: 3.4762467012512093
  • Atomic Density: 0.1200319753384057
  • Unit Cell Volume: 408.22455734694427
  • Molar Volume: 5.0171137674122255
  • Full Formula: Cs1 Be4 Al4 B12 O28
  • Reduced Formula: CsBe4Al4(B3O7)4
  • Formula Anonymous: AB4C4D12E28
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -392.23645667
  • Final energy per atom: -8.00482564632653
  • 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.