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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178199

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-1178199
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 59
  • Number of elements: 3
  • Element list: ['K', 'Fe', 'O']
  • Chemical System: Fe-K-O
  • Density: 4.082252921576287
  • Atomic Density: 0.07674889927234516
  • Unit Cell Volume: 768.7406667636653
  • Molar Volume: 7.846550005401774
  • Full Formula: K3 Fe22 O34
  • Reduced Formula: K3(Fe11O17)2
  • Formula Anonymous: A3B22C34
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -455.09098533
  • Final energy per atom: -7.7134065310169495
  • 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.