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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200805

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-1200805
  • 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: 72
  • Number of elements: 4
  • Element list: ['Cs', 'Li', 'B', 'O']
  • Chemical System: B-Cs-Li-O
  • Density: 2.3499514842270326
  • Atomic Density: 0.0698455686402897
  • Unit Cell Volume: 1030.8456413434872
  • Molar Volume: 8.622079936115217
  • Full Formula: Cs4 Li4 B24 O40
  • Reduced Formula: CsLi(B3O5)2
  • Formula Anonymous: ABC6D10
  • Spacegroup Number: 17
  • Spacegroup Symbol: P222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -574.25424193
  • Final energy per atom: -7.9757533601388895
  • 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.