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  1. Third-Parties
  2. MatprojStructure
  3. mp-851109

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-851109
  • 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: 94
  • Number of elements: 3
  • Element list: ['Sr', 'La', 'Br']
  • Chemical System: Br-La-Sr
  • Density: 4.606594610183755
  • Atomic Density: 0.031647392461964935
  • Unit Cell Volume: 2970.2289094740695
  • Molar Volume: 19.028868704546962
  • Full Formula: Sr18 La10 Br66
  • Reduced Formula: Sr9La5Br33
  • Formula Anonymous: A5B9C33
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -416.00914928
  • Final energy per atom: -4.425629247659574
  • 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.