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  1. Third-Parties
  2. MatprojStructure
  3. mp-695278

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-695278
  • 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: 60
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Mg', 'Nb', 'O']
  • Chemical System: Ba-La-Mg-Nb-O
  • Density: 6.021447261594924
  • Atomic Density: 0.0757358226330462
  • Unit Cell Volume: 792.2274811843121
  • Molar Volume: 7.951509009386964
  • Full Formula: Ba3 La9 Mg7 Nb5 O36
  • Reduced Formula: Ba3La9Mg7Nb5O36
  • Formula Anonymous: A3B5C7D9E36
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -492.52507109
  • Final energy per atom: -8.208751184833334
  • 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.