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  1. Third-Parties
  2. MatprojStructure
  3. mp-560235

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-560235
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['K', 'Sm', 'Si', 'O', 'F']
  • Chemical System: F-K-O-Si-Sm
  • Density: 3.033384929933649
  • Atomic Density: 0.0626942715989676
  • Unit Cell Volume: 925.1243936767438
  • Molar Volume: 9.605567791777595
  • Full Formula: K9 Sm3 Si12 O32 F2
  • Reduced Formula: K9Sm3Si12(O16F)2
  • Formula Anonymous: A2B3C9D12E32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -436.41159108
  • Final energy per atom: -7.524337777241379
  • 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.