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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224406

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-1224406
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['K', 'Fe', 'Se']
  • Chemical System: Fe-K-Se
  • Density: 4.745143887784882
  • Atomic Density: 0.045586445954600784
  • Unit Cell Volume: 526.4722769548964
  • Molar Volume: 13.21037565858371
  • Full Formula: K4 Fe10 Se10
  • Reduced Formula: K2(FeSe)5
  • Formula Anonymous: A2B5C5
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -139.78081529
  • Final energy per atom: -5.824200637083333
  • 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.