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  1. Third-Parties
  2. MatprojStructure
  3. mp-766345

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-766345
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Y', 'O', 'F']
  • Chemical System: F-O-Y
  • Density: 4.945102262329245
  • Atomic Density: 0.07427435540639808
  • Unit Cell Volume: 861.6702178001933
  • Molar Volume: 8.10796771920722
  • Full Formula: Y20 O16 F28
  • Reduced Formula: Y5O4F7
  • Formula Anonymous: A4B5C7
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -535.80278106
  • Final energy per atom: -8.3719184540625
  • 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.