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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211812

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-1211812
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['K', 'Zr', 'Fe', 'Br']
  • Chemical System: Br-Fe-K-Zr
  • Density: 3.6166742433924157
  • Atomic Density: 0.028738190192268847
  • Unit Cell Volume: 1009.1101703336067
  • Molar Volume: 20.95518444171226
  • Full Formula: K4 Zr6 Fe1 Br18
  • Reduced Formula: K4Zr6FeBr18
  • Formula Anonymous: AB4C6D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -146.19421873
  • Final energy per atom: -5.041179956206896
  • 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.