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  1. Third-Parties
  2. MatprojStructure
  3. mp-23057

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-23057
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Cs', 'Li', 'Br']
  • Chemical System: Br-Cs-Li
  • Density: 3.5902532265331963
  • Atomic Density: 0.028861256910561964
  • Unit Cell Volume: 277.1882051010865
  • Molar Volume: 20.86582985163116
  • Full Formula: Cs2 Li2 Br4
  • Reduced Formula: CsLiBr2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -27.67514993
  • Final energy per atom: -3.45939374125
  • 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.