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  1. Third-Parties
  2. MatprojStructure
  3. mp-695608

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-695608
  • 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: 82
  • Number of elements: 6
  • Element list: ['Rb', 'Ba', 'Na', 'Al', 'Si', 'O']
  • Chemical System: Al-Ba-Na-O-Rb-Si
  • Density: 1.9931760401170133
  • Atomic Density: 0.04328442393343037
  • Unit Cell Volume: 1894.4459126015531
  • Molar Volume: 13.912951155967331
  • Full Formula: Rb8 Ba1 Na1 Al11 Si13 O48
  • Reduced Formula: Rb8BaNaAl11Si13O48
  • Formula Anonymous: ABC8D11E13F48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -613.73125818
  • Final energy per atom: -7.484527538780489
  • 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.