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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213734

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-1213734
  • 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: 54
  • Number of elements: 4
  • Element list: ['Cs', 'Nb', 'S', 'Br']
  • Chemical System: Br-Cs-Nb-S
  • Density: 4.617306950020938
  • Atomic Density: 0.03199385964695092
  • Unit Cell Volume: 1687.8238698264186
  • Molar Volume: 18.822801707745572
  • Full Formula: Cs6 Nb12 S2 Br34
  • Reduced Formula: Cs3Nb6SBr17
  • Formula Anonymous: AB3C6D17
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -272.69905048
  • Final energy per atom: -5.049982416296296
  • 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.