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  1. Third-Parties
  2. MatprojStructure
  3. mp-1106121

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-1106121
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 2
  • Element list: ['Fe', 'Se']
  • Chemical System: Fe-Se
  • Density: 5.9944186857158055
  • Atomic Density: 0.05410341870939918
  • Unit Cell Volume: 314.21304615352625
  • Molar Volume: 11.130795250381835
  • Full Formula: Fe9 Se8
  • Reduced Formula: Fe9Se8
  • Formula Anonymous: A8B9
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -111.34259792
  • Final energy per atom: -6.549564583529412
  • 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.