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  1. Third-Parties
  2. MatprojStructure
  3. mp-771976

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-771976
  • 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: 28
  • Number of elements: 3
  • Element list: ['Rb', 'Be', 'O']
  • Chemical System: Be-O-Rb
  • Density: 3.708310170957122
  • Atomic Density: 0.06597103819251669
  • Unit Cell Volume: 424.4286700216904
  • Molar Volume: 9.128461405179328
  • Full Formula: Rb8 Be8 O12
  • Reduced Formula: Rb2Be2O3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -162.83635931
  • Final energy per atom: -5.815584261071429
  • 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.