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  1. Third-Parties
  2. MatprojStructure
  3. mp-561845

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-561845
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 3
  • Element list: ['Yb', 'Au', 'F']
  • Chemical System: Au-F-Yb
  • Density: 6.243758121317839
  • Atomic Density: 0.06114291255704324
  • Unit Cell Volume: 2355.1380524382985
  • Molar Volume: 9.849286709038678
  • Full Formula: Yb12 Au24 F108
  • Reduced Formula: YbAu2F9
  • Formula Anonymous: AB2C9
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -603.47321675
  • Final energy per atom: -4.190786227430555
  • 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.