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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222399

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-1222399
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'O', 'F']
  • Chemical System: F-Li-Nb-O
  • Density: 4.299675581278413
  • Atomic Density: 0.08582758171505087
  • Unit Cell Volume: 116.51266178278426
  • Molar Volume: 7.016556495781994
  • Full Formula: Li2 Nb2 O4 F2
  • Reduced Formula: LiNbO2F
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -75.47837123
  • Final energy per atom: -7.547837122999999
  • 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.