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  1. Third-Parties
  2. MatprojStructure
  3. mp-16836

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-16836
  • 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: 40
  • Number of elements: 3
  • Element list: ['Rb', 'Na', 'Si']
  • Chemical System: Na-Rb-Si
  • Density: 2.48516433281663
  • Atomic Density: 0.04915746039870313
  • Unit Cell Volume: 813.7116863965429
  • Molar Volume: 12.250715783842397
  • Full Formula: Rb2 Na4 Si34
  • Reduced Formula: RbNa2Si17
  • Formula Anonymous: AB2C17
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -190.8319983
  • Final energy per atom: -4.7707999575
  • 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.