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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235339

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-1235339
  • 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: 12
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'O', 'F']
  • Chemical System: F-Li-Nb-O
  • Density: 4.089804465454318
  • Atomic Density: 0.07093470714701676
  • Unit Cell Volume: 169.1696559080624
  • Molar Volume: 8.489695668325979
  • Full Formula: Li1 Nb3 O7 F1
  • Reduced Formula: LiNb3O7F
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -104.30988308000002
  • Final energy per atom: -8.692490256666668
  • 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.