Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-686588

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-686588
  • 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: 83
  • Number of elements: 5
  • Element list: ['Rb', 'Na', 'Al', 'Si', 'O']
  • Chemical System: Al-Na-O-Rb-Si
  • Density: 1.5170203856010385
  • Atomic Density: 0.04344741878525488
  • Unit Cell Volume: 1910.3551446920117
  • Molar Volume: 13.86075612400658
  • Full Formula: Rb1 Na10 Al11 Si13 O48
  • Reduced Formula: RbNa10Al11Si13O48
  • Formula Anonymous: AB10C11D13E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -617.75557591
  • Final energy per atom: -7.442838263975903
  • 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.