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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189627

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-1189627
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Th', 'Fe', 'Se']
  • Chemical System: Fe-Se-Th
  • Density: 7.682976548089134
  • Atomic Density: 0.04046519992398199
  • Unit Cell Volume: 395.4014815213476
  • Molar Volume: 14.882271115213088
  • Full Formula: Th4 Fe2 Se10
  • Reduced Formula: Th2FeSe5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -107.21211075
  • Final energy per atom: -6.700756921875
  • 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.