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  1. Third-Parties
  2. MatprojStructure
  3. mp-570305

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-570305
  • 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: 88
  • Number of elements: 3
  • Element list: ['La', 'Sb', 'Br']
  • Chemical System: Br-La-Sb
  • Density: 6.466309466518017
  • Atomic Density: 0.03255797193303283
  • Unit Cell Volume: 2702.8710566187483
  • Molar Volume: 18.496670408054584
  • Full Formula: La28 Sb44 Br16
  • Reduced Formula: La7Sb11Br4
  • Formula Anonymous: A4B7C11
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -468.02432932
  • Final energy per atom: -5.318458287727273
  • 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.