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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192577

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-1192577
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Fe', 'Bi', 'Se', 'Cl', 'O']
  • Chemical System: Bi-Cl-Fe-O-Se
  • Density: 5.331834298965432
  • Atomic Density: 0.05665766869952442
  • Unit Cell Volume: 529.4958421092222
  • Molar Volume: 10.62899497672157
  • Full Formula: Fe2 Bi4 Se4 Cl6 O14
  • Reduced Formula: FeBi2Se2Cl3O7
  • Formula Anonymous: AB2C2D3E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -171.23528231
  • Final energy per atom: -5.707842743666666
  • 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.