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  1. Third-Parties
  2. MatprojStructure
  3. mp-989591

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-989591
  • 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: 10
  • Number of elements: 4
  • Element list: ['K', 'Br', 'Cl', 'F']
  • Chemical System: Br-Cl-F-K
  • Density: 2.495320457366353
  • Atomic Density: 0.03854929599633438
  • Unit Cell Volume: 259.4081095787298
  • Molar Volume: 15.62192150168615
  • Full Formula: K2 Br1 Cl6 F1
  • Reduced Formula: K2BrCl6F
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -28.43272424
  • Final energy per atom: -2.843272424
  • 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.