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  1. Third-Parties
  2. MatprojStructure
  3. mp-6474

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-6474
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Ba', 'Mg', 'Nb', 'O']
  • Chemical System: Ba-Mg-Nb-O
  • Density: 5.940852812742581
  • Atomic Density: 0.07005018008211439
  • Unit Cell Volume: 214.1322118289584
  • Molar Volume: 8.596895472560831
  • Full Formula: Ba3 Mg1 Nb2 O9
  • Reduced Formula: Ba3MgNb2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -121.11236760000004
  • Final energy per atom: -8.074157840000003
  • 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.