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  1. Third-Parties
  2. MatprojStructure
  3. mp-22947

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-22947
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['K', 'Re', 'Cl']
  • Chemical System: Cl-K-Re
  • Density: 3.0730185720287277
  • Atomic Density: 0.034908365843679845
  • Unit Cell Volume: 257.81785490338126
  • Molar Volume: 17.251282362993535
  • Full Formula: K2 Re1 Cl6
  • Reduced Formula: K2ReCl6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -40.91260132
  • Final energy per atom: -4.545844591111111
  • 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.