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  1. Third-Parties
  2. MatprojStructure
  3. mp-641699

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-641699
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Cs', 'Nb', 'P', 'S']
  • Chemical System: Cs-Nb-P-S
  • Density: 3.025985140781723
  • Atomic Density: 0.03805829388547373
  • Unit Cell Volume: 1471.426968547698
  • Molar Volume: 15.82346486188273
  • Full Formula: Cs4 Nb8 P4 S40
  • Reduced Formula: CsNb2PS10
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -332.69120648
  • Final energy per atom: -5.9409144014285715
  • 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.