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  1. Third-Parties
  2. MatprojStructure
  3. mp-23122

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-23122
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 51
  • Number of elements: 4
  • Element list: ['Li', 'B', 'Cl', 'O']
  • Chemical System: B-Cl-Li-O
  • Density: 2.5079160843765282
  • Atomic Density: 0.11136393254725857
  • Unit Cell Volume: 457.95796568478363
  • Molar Volume: 5.407622218660817
  • Full Formula: Li10 B14 Cl2 O25
  • Reduced Formula: Li10B14Cl2O25
  • Formula Anonymous: A2B10C14D25
  • Spacegroup Number: 196
  • Spacegroup Symbol: F23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -379.97328015
  • Final energy per atom: -7.450456473529411
  • 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.