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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198866

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-1198866
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Rb', 'I', 'O']
  • Chemical System: I-O-Rb
  • Density: 4.439747895765181
  • Atomic Density: 0.05696361973016729
  • Unit Cell Volume: 912.8633370969119
  • Molar Volume: 10.571906751232566
  • Full Formula: Rb4 I12 O36
  • Reduced Formula: Rb(IO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -242.83702993
  • Final energy per atom: -4.669942883269231
  • 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.