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  1. Third-Parties
  2. MatprojStructure
  3. mp-695291

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-695291
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 93
  • Number of elements: 5
  • Element list: ['Li', 'Ca', 'La', 'Nb', 'O']
  • Chemical System: Ca-La-Li-Nb-O
  • Density: 4.301638790355032
  • Atomic Density: 0.08431120004000918
  • Unit Cell Volume: 1103.0562956744493
  • Molar Volume: 7.142752987909368
  • Full Formula: Li25 Ca5 La7 Nb8 O48
  • Reduced Formula: Li25Ca5La7Nb8O48
  • Formula Anonymous: A5B7C8D25E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -677.75542321
  • Final energy per atom: -7.287692722688172
  • 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.