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  1. Third-Parties
  2. MatprojStructure
  3. mp-1185646

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-1185646
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Mg', 'Al', 'Br']
  • Chemical System: Al-Br-Mg
  • Density: 2.2145359513927607
  • Atomic Density: 0.04879756327038186
  • Unit Cell Volume: 594.2919698533764
  • Molar Volume: 12.341068603430031
  • Full Formula: Mg16 Al12 Br1
  • Reduced Formula: Mg16Al12Br
  • Formula Anonymous: AB12C16
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -72.91166446000001
  • Final energy per atom: -2.514195326206897
  • 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.