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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198649

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-1198649
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['K', 'Y', 'Si', 'O', 'F']
  • Chemical System: F-K-O-Si-Y
  • Density: 2.75289232152041
  • Atomic Density: 0.06386410424544331
  • Unit Cell Volume: 908.1783998268212
  • Molar Volume: 9.429617515428752
  • Full Formula: K9 Y3 Si12 O32 F2
  • Reduced Formula: K9Y3Si12(O16F)2
  • Formula Anonymous: A2B3C9D12E32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -442.33691418
  • Final energy per atom: -7.6264985203448274
  • 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.