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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224924

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-1224924
  • 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: 13
  • Number of elements: 4
  • Element list: ['Fe', 'Re', 'Mo', 'S']
  • Chemical System: Fe-Mo-Re-S
  • Density: 6.357895920285198
  • Atomic Density: 0.05677759247028137
  • Unit Cell Volume: 228.963565279815
  • Molar Volume: 10.606544761742265
  • Full Formula: Fe1 Re2 Mo2 S8
  • Reduced Formula: FeRe2(MoS4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -99.81281434
  • Final energy per atom: -7.6779087953846155
  • 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.