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  1. Third-Parties
  2. MatprojStructure
  3. mp-12159

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-12159
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Na', 'P', 'O', 'F']
  • Chemical System: F-Na-O-P
  • Density: 2.57124270729614
  • Atomic Density: 0.07529751377840266
  • Unit Cell Volume: 743.7164547664295
  • Molar Volume: 7.997794957377877
  • Full Formula: Na16 P8 O24 F8
  • Reduced Formula: Na2PO3F
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -350.23097253000003
  • Final energy per atom: -6.254124509464286
  • 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.