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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104229

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-1104229
  • 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: 14
  • Number of elements: 4
  • Element list: ['Y', 'Fe', 'Cl', 'O']
  • Chemical System: Cl-Fe-O-Y
  • Density: 3.280388012489805
  • Atomic Density: 0.0524491029313491
  • Unit Cell Volume: 266.9254423345366
  • Molar Volume: 11.481875615456019
  • Full Formula: Y2 Fe2 Cl4 O6
  • Reduced Formula: YFeCl2O3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -93.10679055
  • Final energy per atom: -6.650485039285714
  • 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.