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  1. Third-Parties
  2. MatprojStructure
  3. mp-641101

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-641101
  • 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: 139
  • Number of elements: 3
  • Element list: ['K', 'Zn', 'In']
  • Chemical System: In-K-Zn
  • Density: 4.866659190826157
  • Atomic Density: 0.0328608056491373
  • Unit Cell Volume: 4229.9632420500075
  • Molar Volume: 18.326211549101508
  • Full Formula: K34 Zn20 In85
  • Reduced Formula: K34(Zn4In17)5
  • Formula Anonymous: A20B34C85
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -314.4543874
  • Final energy per atom: -2.262261779856115
  • 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.