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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200090

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-1200090
  • 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: 46
  • Number of elements: 7
  • Element list: ['Na', 'Ti', 'Nb', 'Si', 'P', 'O', 'F']
  • Chemical System: F-Na-Nb-O-P-Si-Ti
  • Density: 2.95428355281523
  • Atomic Density: 0.07780280619271074
  • Unit Cell Volume: 591.2383145417921
  • Molar Volume: 7.74026163668658
  • Full Formula: Na7 Ti1 Nb2 Si4 P2 O29 F1
  • Reduced Formula: Na7TiNb2Si4P2O29F
  • Formula Anonymous: ABC2D2E4F7G29
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -322.53057162
  • Final energy per atom: -7.011534165652174
  • 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.