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  1. Third-Parties
  2. MatprojStructure
  3. mp-1100970

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-1100970
  • 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: 44
  • Number of elements: 3
  • Element list: ['Y', 'O', 'F']
  • Chemical System: F-O-Y
  • Density: 4.501055926756062
  • Atomic Density: 0.0670545849294251
  • Unit Cell Volume: 656.1818262883883
  • Molar Volume: 8.980953004687596
  • Full Formula: Y14 O12 F18
  • Reduced Formula: Y7(O2F3)3
  • Formula Anonymous: A6B7C9
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -362.75323069
  • Final energy per atom: -8.24439160659091
  • 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.