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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220241

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-1220241
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Nd', 'Fe', 'Bi', 'B', 'O']
  • Chemical System: B-Bi-Fe-Nd-O
  • Density: 4.748078042064946
  • Atomic Density: 0.09870360130919145
  • Unit Cell Volume: 405.25370370934104
  • Molar Volume: 6.101237118122465
  • Full Formula: Nd1 Fe6 Bi1 B8 O24
  • Reduced Formula: NdFe6Bi(BO3)8
  • Formula Anonymous: ABC6D8E24
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -328.10079832
  • Final energy per atom: -8.202519958
  • 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.