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  1. Third-Parties
  2. MatprojStructure
  3. mp-768830

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-768830
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Rb', 'Fe', 'O']
  • Chemical System: Fe-O-Rb
  • Density: 3.8762231250565446
  • Atomic Density: 0.04266072047072579
  • Unit Cell Volume: 1875.2613438607252
  • Molar Volume: 14.116359718145063
  • Full Formula: Rb40 Fe8 O32
  • Reduced Formula: Rb5FeO4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -383.20556125
  • Final energy per atom: -4.790069515625
  • 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.