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  1. Third-Parties
  2. MatprojStructure
  3. mp-554195

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-554195
  • 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: 46
  • Number of elements: 5
  • Element list: ['Sb', 'As', 'S', 'I', 'F']
  • Chemical System: As-F-I-S-Sb
  • Density: 2.909295040790153
  • Atomic Density: 0.04475619297110523
  • Unit Cell Volume: 1027.7907245081765
  • Molar Volume: 13.455435684370913
  • Full Formula: Sb3 As2 S14 I3 F24
  • Reduced Formula: Sb3As2S14(IF8)3
  • Formula Anonymous: A2B3C3D14E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -206.1895777
  • Final energy per atom: -4.482382123913044
  • 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.