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  1. Third-Parties
  2. MatprojStructure
  3. mp-650124

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-650124
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['K', 'Rb', 'Re', 'S']
  • Chemical System: K-Rb-Re-S
  • Density: 5.237829619625785
  • Atomic Density: 0.04068416193114335
  • Unit Cell Volume: 1130.6611176568792
  • Molar Volume: 14.802174787801409
  • Full Formula: K4 Rb4 Re12 S26
  • Reduced Formula: K2Rb2Re6S13
  • Formula Anonymous: A2B2C6D13
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -313.33216186
  • Final energy per atom: -6.811568736086956
  • 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.