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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078114

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-1078114
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Re', 'Cl']
  • Chemical System: Cl-Re
  • Density: 3.443352296746675
  • Atomic Density: 0.0363864048558267
  • Unit Cell Volume: 192.3795447155605
  • Molar Volume: 16.550524251740278
  • Full Formula: Re1 Cl6
  • Reduced Formula: ReCl6
  • Formula Anonymous: AB6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -30.96501905
  • Final energy per atom: -4.423574149999999
  • 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.