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  1. Third-Parties
  2. MatprojStructure
  3. mp-558026

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-558026
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Sb', 'Se', 'I', 'F']
  • Chemical System: F-I-Sb-Se
  • Density: 3.8179575067214238
  • Atomic Density: 0.03636847663262784
  • Unit Cell Volume: 1209.8389614847263
  • Molar Volume: 16.55868300680282
  • Full Formula: Sb4 Se4 I12 F24
  • Reduced Formula: SbSe(IF2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -174.92550322
  • Final energy per atom: -3.9755796186363637
  • 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.