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  1. Third-Parties
  2. MatprojStructure
  3. mp-766208

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-766208
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['Ba', 'Li', 'Ti', 'Nb', 'O']
  • Chemical System: Ba-Li-Nb-O-Ti
  • Density: 4.881266854410134
  • Atomic Density: 0.07620464220992375
  • Unit Cell Volume: 866.0889689395478
  • Molar Volume: 7.9025904267230676
  • Full Formula: Ba6 Li2 Ti10 Nb6 O42
  • Reduced Formula: Ba3LiTi5Nb3O21
  • Formula Anonymous: AB3C3D5E21
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -583.49884638
  • Final energy per atom: -8.840891611818183
  • 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.