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  1. Third-Parties
  2. MatprojStructure
  3. mp-31252

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-31252
  • 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: 26
  • Number of elements: 3
  • Element list: ['La', 'Al', 'Br']
  • Chemical System: Al-Br-La
  • Density: 5.283703182682857
  • Atomic Density: 0.036864887105761586
  • Unit Cell Volume: 705.2781668748547
  • Molar Volume: 16.335709214904405
  • Full Formula: La10 Al8 Br8
  • Reduced Formula: La5(AlBr)4
  • Formula Anonymous: A4B4C5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -125.48791049000002
  • Final energy per atom: -4.826458095769231
  • 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.