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  1. Third-Parties
  2. MatprojStructure
  3. mp-695409

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-695409
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Ti', 'Nb', 'O']
  • Chemical System: Ba-Na-Nb-O-Ti
  • Density: 5.386780735285235
  • Atomic Density: 0.07636421224806071
  • Unit Cell Volume: 654.7569670146079
  • Molar Volume: 7.886077237905291
  • Full Formula: Ba7 Na3 Ti7 Nb3 O30
  • Reduced Formula: Ba7Na3Ti7Nb3O30
  • Formula Anonymous: A3B3C7D7E30
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -415.01459796000006
  • Final energy per atom: -8.3002919592
  • 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.