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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213776

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-1213776
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Cs', 'Re', 'S', 'Cl']
  • Chemical System: Cl-Cs-Re-S
  • Density: 5.01747853248809
  • Atomic Density: 0.035007475399193355
  • Unit Cell Volume: 1314.0050653598385
  • Molar Volume: 17.202442310760755
  • Full Formula: Cs6 Re12 S16 Cl12
  • Reduced Formula: Cs3Re6(S4Cl3)2
  • Formula Anonymous: A3B6C6D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -303.86826775
  • Final energy per atom: -6.605831907608695
  • 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.