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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219762

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-1219762
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Rb', 'Na', 'Nb', 'O', 'F']
  • Chemical System: F-Na-Nb-O-Rb
  • Density: 3.437080767523963
  • Atomic Density: 0.05592715027296308
  • Unit Cell Volume: 679.4553238370592
  • Molar Volume: 10.767830527047773
  • Full Formula: Rb6 Na2 Nb4 O6 F20
  • Reduced Formula: Rb3NaNb2O3F10
  • Formula Anonymous: AB2C3D3E10
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -229.97109469
  • Final energy per atom: -6.051870912894737
  • 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.