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  1. Third-Parties
  2. MatprojStructure
  3. mp-557778

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-557778
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Rb', 'Nb', 'Si', 'O']
  • Chemical System: Nb-O-Rb-Si
  • Density: 3.588317183050704
  • Atomic Density: 0.06034937268790732
  • Unit Cell Volume: 1590.7373303854786
  • Molar Volume: 9.978795953924976
  • Full Formula: Rb12 Nb12 Si12 O60
  • Reduced Formula: RbNbSiO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -786.3157164699999
  • Final energy per atom: -8.190788713229166
  • 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.