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  1. Third-Parties
  2. MatprojStructure
  3. mp-1249484

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-1249484
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 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: 2.5762423611335534
  • Atomic Density: 0.07366069288239187
  • Unit Cell Volume: 543.0304608166638
  • Molar Volume: 8.175514680014034
  • Full Formula: K2 Mg6 Al2 Si6 O20 F4
  • Reduced Formula: KMg3AlSi3(O5F)2
  • Formula Anonymous: ABC2D3E3F10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -284.09984947000004
  • Final energy per atom: -7.102496236750001
  • 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.