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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195185

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-1195185
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Al', 'F']
  • Chemical System: Al-F-K-Na
  • Density: 2.7945262392856924
  • Atomic Density: 0.07386340247474238
  • Unit Cell Volume: 974.7723173816753
  • Molar Volume: 8.153077922533116
  • Full Formula: K8 Na4 Al12 F48
  • Reduced Formula: K2NaAl3F12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -413.35755694
  • Final energy per atom: -5.741077179722222
  • 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.