Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1261487

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-1261487
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 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: 1.9765139413498167
  • Atomic Density: 0.044004704958000615
  • Unit Cell Volume: 1886.1619474376125
  • Molar Volume: 13.685220173042199
  • Full Formula: Rb9 Na2 Al11 Si13 O48
  • Reduced Formula: Rb9Na2Al11Si13O48
  • Formula Anonymous: A2B9C11D13E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -616.32412683
  • Final energy per atom: -7.4255918895180715
  • 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.