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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200599

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-1200599
  • 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: 80
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'P', 'O']
  • Chemical System: Al-Na-O-P
  • Density: 2.6000960310212027
  • Atomic Density: 0.08032422787938208
  • Unit Cell Volume: 995.9635107869452
  • Molar Volume: 7.497290567228453
  • Full Formula: Na4 Al12 P8 O56
  • Reduced Formula: NaAl3(PO7)2
  • Formula Anonymous: AB2C3D14
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -540.40859037
  • Final energy per atom: -6.755107379625
  • 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.