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  1. Third-Parties
  2. MatprojStructure
  3. mp-28359

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-28359
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Ba', 'Fe', 'F']
  • Chemical System: Ba-F-Fe
  • Density: 4.676471471319888
  • Atomic Density: 0.06682277172053977
  • Unit Cell Volume: 897.897504924319
  • Molar Volume: 9.012108604511738
  • Full Formula: Ba8 Fe12 F40
  • Reduced Formula: Ba2Fe3F10
  • Formula Anonymous: A2B3C10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -386.09282568
  • Final energy per atom: -6.434880428
  • 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.