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  1. Third-Parties
  2. MatprojStructure
  3. mp-29895

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-29895
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Rb', 'Bi', 'I']
  • Chemical System: Bi-I-Rb
  • Density: 4.393114722569822
  • Atomic Density: 0.020389896511620955
  • Unit Cell Volume: 2746.4582749639526
  • Molar Volume: 29.5349255773209
  • Full Formula: Rb12 Bi8 I36
  • Reduced Formula: Rb3Bi2I9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -163.70794144
  • Final energy per atom: -2.9233560971428574
  • 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.