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  1. Third-Parties
  2. MatprojStructure
  3. mp-17894

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-17894
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Rb', 'Sm', 'P', 'S']
  • Chemical System: P-Rb-S-Sm
  • Density: 2.985752404500378
  • Atomic Density: 0.03471014394426572
  • Unit Cell Volume: 806.6806074028319
  • Molar Volume: 17.34980059336483
  • Full Formula: Rb6 Sm2 P4 S16
  • Reduced Formula: Rb3Sm(PS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -141.09761502
  • Final energy per atom: -5.039200536428572
  • 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.