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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223553

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-1223553
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Ni', 'F']
  • Chemical System: Ba-F-K-Ni
  • Density: 4.8260364840008885
  • Atomic Density: 0.06757453646276715
  • Unit Cell Volume: 207.17863166865897
  • Molar Volume: 8.911849159806128
  • Full Formula: K1 Ba2 Ni2 F9
  • Reduced Formula: KBa2Ni2F9
  • Formula Anonymous: AB2C2D9
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -78.58378651
  • Final energy per atom: -5.613127607857143
  • 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.