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  1. Third-Parties
  2. MatprojStructure
  3. mp-541060

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-541060
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['K', 'Re', 'Se']
  • Chemical System: K-Re-Se
  • Density: 6.561639357311733
  • Atomic Density: 0.03913875754716918
  • Unit Cell Volume: 1124.205333983128
  • Molar Volume: 15.38664264633911
  • Full Formula: K8 Re12 Se24
  • Reduced Formula: K2(ReSe2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -282.93980573
  • Final energy per atom: -6.430450130227272
  • 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.