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  1. Third-Parties
  2. MatprojStructure
  3. mp-41191

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-41191
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Na', 'Ti', 'P', 'O', 'F']
  • Chemical System: F-Na-O-P-Ti
  • Density: 2.9678930219053625
  • Atomic Density: 0.07930990190754678
  • Unit Cell Volume: 226.95778921758068
  • Molar Volume: 7.593176406926006
  • Full Formula: Na3 Ti2 P2 O10 F1
  • Reduced Formula: Na3Ti2P2O10F
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -135.88117914
  • Final energy per atom: -7.548954396666667
  • 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.