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  1. Third-Parties
  2. MatprojStructure
  3. mp-560520

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-560520
  • Created at: Sept. 4, 2022, 2:41 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: ['Fe', 'Te', 'C', 'S', 'O']
  • Chemical System: C-Fe-O-S-Te
  • Density: 1.7810613356812983
  • Atomic Density: 0.04258541737762132
  • Unit Cell Volume: 1080.1819691492105
  • Molar Volume: 14.141321444848964
  • Full Formula: Fe6 Te2 C18 S2 O18
  • Reduced Formula: Fe3TeC9SO9
  • Formula Anonymous: ABC3D9E9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -344.49935097
  • Final energy per atom: -7.489116325434783
  • 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.