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  1. Third-Parties
  2. MatprojStructure
  3. mp-863290

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-863290
  • 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: 176
  • Number of elements: 4
  • Element list: ['Rb', 'Fe', 'S', 'O']
  • Chemical System: Fe-O-Rb-S
  • Density: 2.7498150655465046
  • Atomic Density: 0.05749712600033022
  • Unit Cell Volume: 3061.0225630927916
  • Molar Volume: 10.4738117866368
  • Full Formula: Rb20 Fe12 S24 O120
  • Reduced Formula: Rb5Fe3(SO5)6
  • Formula Anonymous: A3B5C6D30
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1091.62109464
  • Final energy per atom: -6.202392583181818
  • 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.