Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-560092

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-560092
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Rb', 'Na', 'Be', 'O']
  • Chemical System: Be-Na-O-Rb
  • Density: 2.6741314939249476
  • Atomic Density: 0.08976436395465254
  • Unit Cell Volume: 557.0139172963914
  • Molar Volume: 6.708832430475734
  • Full Formula: Rb2 Na10 Be16 O22
  • Reduced Formula: RbNa5Be8O11
  • Formula Anonymous: AB5C8D11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -311.28810294
  • Final energy per atom: -6.2257620588
  • 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.