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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225166

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-1225166
  • 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: 8
  • Number of elements: 3
  • Element list: ['Fe', 'Te', 'S']
  • Chemical System: Fe-S-Te
  • Density: 6.095533568110601
  • Atomic Density: 0.046011373271583986
  • Unit Cell Volume: 173.87005497053255
  • Molar Volume: 13.088374312268558
  • Full Formula: Fe4 Te3 S1
  • Reduced Formula: Fe4Te3S
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -50.48142097
  • Final energy per atom: -6.31017762125
  • 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.