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  1. Third-Parties
  2. MatprojStructure
  3. mp-5990

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-5990
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Cs', 'Li', 'B', 'O']
  • Chemical System: B-Cs-Li-O
  • Density: 2.324289357794206
  • Atomic Density: 0.06908283552632954
  • Unit Cell Volume: 521.1135258957244
  • Molar Volume: 8.717275013566548
  • Full Formula: Cs2 Li2 B12 O20
  • Reduced Formula: CsLi(B3O5)2
  • Formula Anonymous: ABC6D10
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -287.01404448
  • Final energy per atom: -7.972612346666667
  • 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.