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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224727

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-1224727
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['K', 'In', 'Te', 'Mo']
  • Chemical System: In-K-Mo-Te
  • Density: 6.388391132380899
  • Atomic Density: 0.03602332873118351
  • Unit Cell Volume: 388.63704419078107
  • Molar Volume: 16.717335604765886
  • Full Formula: K1 In1 Te6 Mo6
  • Reduced Formula: KIn(TeMo)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -92.78310042
  • Final energy per atom: -6.627364315714286
  • 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.