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  1. Third-Parties
  2. MatprojStructure
  3. mp-569883

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-569883
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Rb', 'P', 'Se']
  • Chemical System: P-Rb-Se
  • Density: 3.4023850857730893
  • Atomic Density: 0.03055597903525232
  • Unit Cell Volume: 2879.9600856668585
  • Molar Volume: 19.708551158031227
  • Full Formula: Rb16 P24 Se48
  • Reduced Formula: Rb2(PSe2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -379.10617902
  • Final energy per atom: -4.308024761590909
  • 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.