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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205068

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-1205068
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Rb', 'P', 'Pd', 'S']
  • Chemical System: P-Pd-Rb-S
  • Density: 2.0634273180455
  • Atomic Density: 0.024005066426868487
  • Unit Cell Volume: 1832.9463962970544
  • Molar Volume: 25.0869572818991
  • Full Formula: Rb8 P6 Pd6 S24
  • Reduced Formula: Rb4P3(PdS4)3
  • Formula Anonymous: A3B3C4D12
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -210.48551354
  • Final energy per atom: -4.783761671363636
  • 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.