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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226418

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-1226418
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Cs', 'Ga', 'Fe', 'S']
  • Chemical System: Cs-Fe-Ga-S
  • Density: 3.3572073978488017
  • Atomic Density: 0.030715417979292076
  • Unit Cell Volume: 520.9110294636715
  • Molar Volume: 19.60624714291711
  • Full Formula: Cs4 Ga3 Fe1 S8
  • Reduced Formula: Cs4Ga3FeS8
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -73.71111986
  • Final energy per atom: -4.60694499125
  • 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.