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  1. Third-Parties
  2. MatprojStructure
  3. mp-23535

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-23535
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['K', 'Zn', 'Br']
  • Chemical System: Br-K-Zn
  • Density: 3.0750163247147273
  • Atomic Density: 0.027983856554164594
  • Unit Cell Volume: 500.288442120266
  • Molar Volume: 21.520052993209678
  • Full Formula: K4 Zn2 Br8
  • Reduced Formula: K2ZnBr4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -44.26702959
  • Final energy per atom: -3.161930685
  • 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.