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  1. Third-Parties
  2. MatprojStructure
  3. mp-28376

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-28376
  • 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: 7
  • Number of elements: 3
  • Element list: ['Cu', 'Au', 'F']
  • Chemical System: Au-Cu-F
  • Density: 5.79841127871236
  • Atomic Density: 0.0687563403487222
  • Unit Cell Volume: 101.80879268002069
  • Molar Volume: 8.758669716067745
  • Full Formula: Cu1 Au1 F5
  • Reduced Formula: CuAuF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -27.7749054
  • Final energy per atom: -3.967843628571429
  • 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.