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  1. Third-Parties
  2. MatprojStructure
  3. mp-542627

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-542627
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Fe', 'Ag', 'S']
  • Chemical System: Ag-Fe-S
  • Density: 4.6790159347721385
  • Atomic Density: 0.05354376630967174
  • Unit Cell Volume: 448.2314497862438
  • Molar Volume: 11.247137015298467
  • Full Formula: Fe8 Ag4 S12
  • Reduced Formula: Fe2AgS3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -140.91738078
  • Final energy per atom: -5.8715575325
  • 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.