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  1. Third-Parties
  2. MatprojStructure
  3. mp-769316

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-769316
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'O', 'F']
  • Chemical System: F-Li-Nb-O
  • Density: 3.231829519371772
  • Atomic Density: 0.07826816257222909
  • Unit Cell Volume: 689.9357059796386
  • Molar Volume: 7.694240623628438
  • Full Formula: Li10 Nb6 O2 F36
  • Reduced Formula: Li5Nb3OF18
  • Formula Anonymous: AB3C5D18
  • Spacegroup Number: 108
  • Spacegroup Symbol: I4cm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -334.2660688
  • Final energy per atom: -6.190112385185186
  • 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.