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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212294

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-1212294
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['K', 'Ni', 'Br', 'O']
  • Chemical System: Br-K-Ni-O
  • Density: 3.2968976076131264
  • Atomic Density: 0.05038019511030383
  • Unit Cell Volume: 436.67953154672335
  • Molar Volume: 11.953389118114677
  • Full Formula: K2 Ni2 Br6 O12
  • Reduced Formula: KNi(BrO2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -94.5385531
  • Final energy per atom: -4.297206959090909
  • 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.