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  1. Third-Parties
  2. MatprojStructure
  3. mp-695250

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-695250
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Mg', 'Nb', 'O']
  • Chemical System: Ba-La-Mg-Nb-O
  • Density: 5.963096368406568
  • Atomic Density: 0.07584497586098868
  • Unit Cell Volume: 527.3915581872344
  • Molar Volume: 7.940065497598139
  • Full Formula: Ba1 La7 Mg5 Nb3 O24
  • Reduced Formula: BaLa7Mg5Nb3O24
  • Formula Anonymous: AB3C5D7E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -332.36422104
  • Final energy per atom: -8.309105526
  • 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.