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  1. Third-Parties
  2. MatprojStructure
  3. mp-771955

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-771955
  • 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: 52
  • Number of elements: 3
  • Element list: ['Sr', 'La', 'Br']
  • Chemical System: Br-La-Sr
  • Density: 4.278780614757577
  • Atomic Density: 0.029884557915491328
  • Unit Cell Volume: 1740.0290861604026
  • Molar Volume: 20.15134631413868
  • Full Formula: Sr12 La4 Br36
  • Reduced Formula: Sr3LaBr9
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -227.11742007
  • Final energy per atom: -4.367642693653846
  • 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.