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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196434

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-1196434
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 3
  • Element list: ['K', 'Fe', 'Te']
  • Chemical System: Fe-K-Te
  • Density: 3.6826203537233844
  • Atomic Density: 0.02815618986629831
  • Unit Cell Volume: 5114.328347826689
  • Molar Volume: 21.388336946854558
  • Full Formula: K60 Fe24 Te60
  • Reduced Formula: K5Fe2Te5
  • Formula Anonymous: A2B5C5
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -583.66039608
  • Final energy per atom: -4.053197195
  • 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.