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  1. Third-Parties
  2. MatprojStructure
  3. mp-560506

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-560506
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Na', 'Ti', 'P', 'O']
  • Chemical System: Na-O-P-Ti
  • Density: 2.8839567798517245
  • Atomic Density: 0.07804062813888081
  • Unit Cell Volume: 563.8088909496956
  • Molar Volume: 7.716673870542175
  • Full Formula: Na4 Ti4 P8 O28
  • Reduced Formula: NaTiP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -343.66423328
  • Final energy per atom: -7.810550756363637
  • 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.