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  1. Third-Parties
  2. MatprojStructure
  3. mp-684894

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-684894
  • 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: 32
  • Number of elements: 5
  • Element list: ['Ce', 'Fe', 'As', 'O', 'F']
  • Chemical System: As-Ce-F-Fe-O
  • Density: 6.749495698599803
  • Atomic Density: 0.05659939468941124
  • Unit Cell Volume: 565.3770711789368
  • Molar Volume: 10.639938453487801
  • Full Formula: Ce8 Fe8 As8 O7 F1
  • Reduced Formula: Ce8Fe8As8O7F
  • Formula Anonymous: AB7C8D8E8
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -242.61187269
  • Final energy per atom: -7.5816210215625
  • 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.