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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195251

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-1195251
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Rb', 'Ge', 'P', 'Se']
  • Chemical System: Ge-P-Rb-Se
  • Density: 3.6137893050672867
  • Atomic Density: 0.030756419175387562
  • Unit Cell Volume: 2731.1371821600073
  • Molar Volume: 19.580110173615864
  • Full Formula: Rb16 Ge4 P16 Se48
  • Reduced Formula: Rb4Ge(PSe3)4
  • Formula Anonymous: AB4C4D12
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -356.36509367
  • Final energy per atom: -4.242441591309524
  • 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.