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  1. Third-Parties
  2. MatprojStructure
  3. mp-28274

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-28274
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'F']
  • Chemical System: Ba-F-In
  • Density: 5.328896346513834
  • Atomic Density: 0.06273626293655059
  • Unit Cell Volume: 541.9513118654596
  • Molar Volume: 9.5991384856484
  • Full Formula: Ba6 In4 F24
  • Reduced Formula: Ba3In2F12
  • Formula Anonymous: A2B3C12
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -189.85014279
  • Final energy per atom: -5.5838277291176475
  • 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.