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  1. Third-Parties
  2. MatprojStructure
  3. mp-16777

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-16777
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'P', 'O']
  • Chemical System: Al-Na-O-P
  • Density: 2.987200658660449
  • Atomic Density: 0.08837420301654533
  • Unit Cell Volume: 497.8828492717763
  • Molar Volume: 6.814365000692047
  • Full Formula: Na4 Al4 P8 O28
  • Reduced Formula: NaAlP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -329.77878721
  • Final energy per atom: -7.49497243659091
  • 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.