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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173209

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-1173209
  • 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: 35
  • Number of elements: 5
  • Element list: ['Sr', 'Nd', 'Ta', 'Al', 'O']
  • Chemical System: Al-Nd-O-Sr-Ta
  • Density: 6.628375554868666
  • Atomic Density: 0.08645408986681259
  • Unit Cell Volume: 404.8391470423143
  • Molar Volume: 6.965709510420441
  • Full Formula: Sr4 Nd3 Ta2 Al5 O21
  • Reduced Formula: Sr4Nd3Ta2Al5O21
  • Formula Anonymous: A2B3C4D5E21
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -291.21483866
  • Final energy per atom: -8.320423961714285
  • 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.