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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195451

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-1195451
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 102
  • Number of elements: 5
  • Element list: ['Rb', 'U', 'Sb', 'P', 'S']
  • Chemical System: P-Rb-S-Sb-U
  • Density: 3.0445972269779515
  • Atomic Density: 0.034073906845511204
  • Unit Cell Volume: 2993.49295231865
  • Molar Volume: 17.67376070875576
  • Full Formula: Rb12 U6 Sb4 P16 S64
  • Reduced Formula: Rb6U3Sb2(PS4)8
  • Formula Anonymous: A2B3C6D8E32
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -555.01904459
  • Final energy per atom: -5.441363182254902
  • 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.