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  1. Third-Parties
  2. MatprojStructure
  3. mp-966802

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-966802
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Cs', 'Li', 'B', 'O']
  • Chemical System: B-Cs-Li-O
  • Density: 2.9517331556354462
  • Atomic Density: 0.07100602964641736
  • Unit Cell Volume: 563.3324409093786
  • Molar Volume: 8.481168134576652
  • Full Formula: Cs4 Li6 B10 O20
  • Reduced Formula: Cs2Li3(BO2)5
  • Formula Anonymous: A2B3C5D10
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -288.47941042
  • Final energy per atom: -7.2119852605000005
  • 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.