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  1. Third-Parties
  2. MatprojStructure
  3. mp-582929

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-582929
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 2
  • Element list: ['K', 'In']
  • Chemical System: In-K
  • Density: 3.431014452837174
  • Atomic Density: 0.024913242436127934
  • Unit Cell Volume: 1525.2932289895075
  • Molar Volume: 24.17244875065717
  • Full Formula: K16 In22
  • Reduced Formula: K8In11
  • Formula Anonymous: A8B11
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -83.8526526
  • Final energy per atom: -2.206648752631579
  • 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.