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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200819

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-1200819
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['K', 'Fe', 'Ge', 'Se']
  • Chemical System: Fe-Ge-K-Se
  • Density: 3.8453503134836815
  • Atomic Density: 0.032959298604528425
  • Unit Cell Volume: 1699.0652826667226
  • Molar Volume: 18.271446951157486
  • Full Formula: K8 Fe4 Ge12 Se32
  • Reduced Formula: K2FeGe3Se8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -249.06918669
  • Final energy per atom: -4.447664048035715
  • 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.