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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196025

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-1196025
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Rb', 'Sc', 'Si', 'O', 'F']
  • Chemical System: F-O-Rb-Sc-Si
  • Density: 3.0909174934249273
  • Atomic Density: 0.06259914484795132
  • Unit Cell Volume: 1533.5672752906912
  • Molar Volume: 9.620164579927305
  • Full Formula: Rb12 Sc8 Si16 O40 F20
  • Reduced Formula: Rb3Sc2Si4(O2F)5
  • Formula Anonymous: A2B3C4D5E10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -716.28268467
  • Final energy per atom: -7.4612779653125
  • 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.