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  1. Third-Parties
  2. MatprojStructure
  3. mp-28774

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-28774
  • 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: 40
  • Number of elements: 3
  • Element list: ['K', 'Sn', 'F']
  • Chemical System: F-K-Sn
  • Density: 3.5448548438377405
  • Atomic Density: 0.04969102900247951
  • Unit Cell Volume: 804.9742740888714
  • Molar Volume: 12.119170966855012
  • Full Formula: K8 Sn8 F24
  • Reduced Formula: KSnF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -198.64966031
  • Final energy per atom: -4.96624150775
  • 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.