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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223599

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-1223599
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['K', 'Mg', 'Al', 'Si', 'O', 'F']
  • Chemical System: Al-F-K-Mg-O-Si
  • Density: 2.646939189666184
  • Atomic Density: 0.07622475443464022
  • Unit Cell Volume: 524.763907692198
  • Molar Volume: 7.900505294725158
  • Full Formula: K2 Mg6 Al2 Si6 O22 F2
  • Reduced Formula: KMg3AlSi3O11F
  • Formula Anonymous: ABCD3E3F11
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -290.22820232000004
  • Final energy per atom: -7.255705058000001
  • 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.