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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220733

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-1220733
  • 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: 22
  • Number of elements: 6
  • Element list: ['Na', 'Y', 'Ti', 'Nb', 'O', 'F']
  • Chemical System: F-Na-Nb-O-Ti-Y
  • Density: 4.412190730839634
  • Atomic Density: 0.07949631380119987
  • Unit Cell Volume: 276.7423915405238
  • Molar Volume: 7.575371073254852
  • Full Formula: Na2 Y2 Ti2 Nb2 O12 F2
  • Reduced Formula: NaYTiNbO6F
  • Formula Anonymous: ABCDEF6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -188.823818
  • Final energy per atom: -8.582900818181818
  • 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.