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  1. Third-Parties
  2. MatprojStructure
  3. mp-686121

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-686121
  • 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: 144
  • Number of elements: 3
  • Element list: ['K', 'Sn', 'F']
  • Chemical System: F-K-Sn
  • Density: 4.0381229353820665
  • Atomic Density: 0.052366017704787556
  • Unit Cell Volume: 2749.874943934009
  • Molar Volume: 11.500093044977577
  • Full Formula: K18 Sn36 F90
  • Reduced Formula: KSn2F5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -719.5255894200001
  • Final energy per atom: -4.996705482083334
  • 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.