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  1. Third-Parties
  2. MatprojStructure
  3. mp-29878

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-29878
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Re', 'P', 'Cl']
  • Chemical System: Cl-P-Re
  • Density: 2.904883446522355
  • Atomic Density: 0.03238521322158973
  • Unit Cell Volume: 988.1052744981489
  • Molar Volume: 18.59534077726966
  • Full Formula: Re4 P2 Cl26
  • Reduced Formula: Re2PCl13
  • Formula Anonymous: AB2C13
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -145.12596935
  • Final energy per atom: -4.5351865421875
  • 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.