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  1. Third-Parties
  2. MatprojStructure
  3. mp-640781

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-640781
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 2
  • Element list: ['K', 'In']
  • Chemical System: In-K
  • Density: 4.833611873099348
  • Atomic Density: 0.03142662639780925
  • Unit Cell Volume: 3691.1375256011047
  • Molar Volume: 19.162542882489618
  • Full Formula: K34 In82
  • Reduced Formula: K17In41
  • Formula Anonymous: A17B41
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -281.20862749
  • Final energy per atom: -2.4242123059482763
  • 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.