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  1. Third-Parties
  2. MatprojStructure
  3. mp-568985

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-568985
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['La', 'B', 'Br']
  • Chemical System: B-Br-La
  • Density: 5.679743250050392
  • Atomic Density: 0.052601913024505904
  • Unit Cell Volume: 456.2571705104908
  • Molar Volume: 11.448520431556236
  • Full Formula: La8 B12 Br4
  • Reduced Formula: La2B3Br
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -148.59434871
  • Final energy per atom: -6.19143119625
  • 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.