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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195306

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-1195306
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 3
  • Element list: ['K', 'Fe', 'Te']
  • Chemical System: Fe-K-Te
  • Density: 3.829630316476626
  • Atomic Density: 0.0288687063005379
  • Unit Cell Volume: 2632.608444895361
  • Molar Volume: 20.860445554111276
  • Full Formula: K28 Fe16 Te32
  • Reduced Formula: K7(FeTe2)4
  • Formula Anonymous: A4B7C8
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -328.43941110000003
  • Final energy per atom: -4.321571198684211
  • 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.