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  1. Third-Parties
  2. MatprojStructure
  3. mp-557090

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-557090
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 3
  • Element list: ['Bi', 'Au', 'F']
  • Chemical System: Au-Bi-F
  • Density: 6.469429976858691
  • Atomic Density: 0.06054495799987371
  • Unit Cell Volume: 1849.8650209689406
  • Molar Volume: 9.946560306495813
  • Full Formula: Bi8 Au20 F84
  • Reduced Formula: Bi2Au5F21
  • Formula Anonymous: A2B5C21
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -453.51683026
  • Final energy per atom: -4.049257413035714
  • 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.