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  1. Third-Parties
  2. MatprojStructure
  3. mp-657176

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-657176
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Yb', 'Be', 'F']
  • Chemical System: Be-F-Yb
  • Density: 5.181392101490408
  • Atomic Density: 0.07255240707075586
  • Unit Cell Volume: 330.7953652949693
  • Molar Volume: 8.30040105234135
  • Full Formula: Yb4 Be4 F16
  • Reduced Formula: YbBeF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -145.25388547
  • Final energy per atom: -6.052245227916667
  • 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.