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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226881

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-1226881
  • 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: 5
  • Element list: ['Cs', 'Nb', 'Ag', 'P', 'S']
  • Chemical System: Ag-Cs-Nb-P-S
  • Density: 2.8579354771811865
  • Atomic Density: 0.03662874797714578
  • Unit Cell Volume: 1528.8537854185124
  • Molar Volume: 16.441022673659138
  • Full Formula: Cs2 Nb8 Ag2 P4 S40
  • Reduced Formula: CsNb4Ag(PS10)2
  • Formula Anonymous: ABC2D4E20
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -331.79679294
  • Final energy per atom: -5.924942731071428
  • 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.