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  1. Third-Parties
  2. MatprojStructure
  3. mp-677283

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-677283
  • 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: 50
  • Number of elements: 5
  • Element list: ['Sr', 'Nd', 'Nb', 'Al', 'O']
  • Chemical System: Al-Nb-Nd-O-Sr
  • Density: 5.555653267116643
  • Atomic Density: 0.08351950993349667
  • Unit Cell Volume: 598.6625165762233
  • Molar Volume: 7.2104598851157
  • Full Formula: Sr8 Nd2 Nb4 Al6 O30
  • Reduced Formula: Sr4NdNb2Al3O15
  • Formula Anonymous: AB2C3D4E15
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -404.89973422
  • Final energy per atom: -8.0979946844
  • 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.