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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222452

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-1222452
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Li', 'Bi', 'Cl', 'O']
  • Chemical System: Bi-Cl-Li-O
  • Density: 6.801543132199591
  • Atomic Density: 0.05327862473717917
  • Unit Cell Volume: 187.69253240543478
  • Molar Volume: 11.303108497463896
  • Full Formula: Li1 Bi3 Cl2 O4
  • Reduced Formula: LiBi3(ClO2)2
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -55.09272967
  • Final energy per atom: -5.509272966999999
  • 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.