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  1. Third-Parties
  2. MatprojStructure
  3. mp-616564

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-616564
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Rb', 'Pb', 'I', 'O']
  • Chemical System: I-O-Pb-Rb
  • Density: 5.144900144702858
  • Atomic Density: 0.05408587296514145
  • Unit Cell Volume: 332.80409491774435
  • Molar Volume: 11.134406139439205
  • Full Formula: Rb2 Pb2 I2 O12
  • Reduced Formula: RbPbIO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -94.28091051
  • Final energy per atom: -5.237828361666667
  • 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.