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  1. Third-Parties
  2. MatprojStructure
  3. mp-643371

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-643371
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['K', 'Sn', 'H', 'N']
  • Chemical System: H-K-N-Sn
  • Density: 1.9582868287875725
  • Atomic Density: 0.08451163656948263
  • Unit Cell Volume: 248.48649076549955
  • Molar Volume: 7.125812496896564
  • Full Formula: K2 Sn1 H12 N6
  • Reduced Formula: K2Sn(H2N)6
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -105.6134333
  • Final energy per atom: -5.02921110952381
  • 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.