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  1. Third-Parties
  2. MatprojStructure
  3. mp-768604

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-768604
  • 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: 28
  • Number of elements: 3
  • Element list: ['Sr', 'La', 'Cl']
  • Chemical System: Cl-La-Sr
  • Density: 3.2314523653572635
  • Atomic Density: 0.03373577070082662
  • Unit Cell Volume: 829.9795563678623
  • Molar Volume: 17.850906129891506
  • Full Formula: Sr4 La4 Cl20
  • Reduced Formula: SrLaCl5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -142.31389471
  • Final energy per atom: -5.082639096785714
  • 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.