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  1. Third-Parties
  2. MatprojStructure
  3. mp-756639

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-756639
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'O', 'F']
  • Chemical System: F-Li-Nb-O
  • Density: 3.543242960477418
  • Atomic Density: 0.08818135303985339
  • Unit Cell Volume: 306.18718208822906
  • Molar Volume: 6.8292678127520965
  • Full Formula: Li6 Nb3 O3 F15
  • Reduced Formula: Li2NbOF5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 144
  • Spacegroup Symbol: P3_1
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -173.29828795999998
  • Final energy per atom: -6.418455109629629
  • 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.