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  1. Third-Parties
  2. MatprojStructure
  3. mp-677636

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-677636
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 79
  • Number of elements: 3
  • Element list: ['Sr', 'Nb', 'O']
  • Chemical System: Nb-O-Sr
  • Density: 4.7364872842190575
  • Atomic Density: 0.062443397747544434
  • Unit Cell Volume: 1265.1457615966558
  • Molar Volume: 9.644159314243625
  • Full Formula: Sr22 Nb10 O47
  • Reduced Formula: Sr22Nb10O47
  • Formula Anonymous: A10B22C47
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -623.82879837
  • Final energy per atom: -7.896567067974683
  • 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.