Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1193598

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-1193598
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Rb', 'Na', 'U', 'Si', 'O']
  • Chemical System: Na-O-Rb-Si-U
  • Density: 3.936252505421973
  • Atomic Density: 0.06070869312626436
  • Unit Cell Volume: 461.2189549487498
  • Molar Volume: 9.919733813862393
  • Full Formula: Rb2 Na2 U2 Si4 O18
  • Reduced Formula: RbNaUSi2O9
  • Formula Anonymous: ABCD2E9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -216.26651522
  • Final energy per atom: -7.723804115
  • 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.