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  1. Third-Parties
  2. MatprojStructure
  3. mp-555408

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-555408
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Sb', 'S', 'I', 'F']
  • Chemical System: F-I-S-Sb
  • Density: 2.650076183519047
  • Atomic Density: 0.04077379405702853
  • Unit Cell Volume: 1471.5334049139653
  • Molar Volume: 14.769635495723291
  • Full Formula: Sb4 S28 I4 F24
  • Reduced Formula: SbS7IF6
  • Formula Anonymous: ABC6D7
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -261.07471653
  • Final energy per atom: -4.3512452755
  • 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.