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  1. Third-Parties
  2. MatprojStructure
  3. mp-28757

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-28757
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Nd', 'Al', 'Br']
  • Chemical System: Al-Br-Nd
  • Density: 3.0391225104907975
  • Atomic Density: 0.024731741193588775
  • Unit Cell Volume: 1940.8257439004362
  • Molar Volume: 24.349845459166957
  • Full Formula: Nd3 Al9 Br36
  • Reduced Formula: Nd(AlBr4)3
  • Formula Anonymous: AB3C12
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -190.5068128
  • Final energy per atom: -3.9688919333333335
  • 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.