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  1. Third-Parties
  2. MatprojStructure
  3. mp-29560

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-29560
  • 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: 32
  • Number of elements: 3
  • Element list: ['La', 'Si', 'Br']
  • Chemical System: Br-La-Si
  • Density: 5.05215174762815
  • Atomic Density: 0.038338166142884204
  • Unit Cell Volume: 834.6773781703013
  • Molar Volume: 15.707952064154082
  • Full Formula: La12 Si14 Br6
  • Reduced Formula: La6Si7Br3
  • Formula Anonymous: A3B6C7
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -181.99123372
  • Final energy per atom: -5.68722605375
  • 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.