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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221508

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-1221508
  • Created at: Sept. 4, 2022, 2:46 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: 3.0401907223657854
  • Atomic Density: 0.0779920063492634
  • Unit Cell Volume: 589.8040344545444
  • Molar Volume: 7.721484600654688
  • Full Formula: Na11 Ti1 Nb2 Si4 P2 O25 F1
  • Reduced Formula: Na11TiNb2Si4P2O25F
  • Formula Anonymous: ABC2D2E4F11G25
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -332.33874029
  • Final energy per atom: -7.224755223695651
  • 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.