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  1. Third-Parties
  2. MatprojStructure
  3. mp-555488

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-555488
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'P', 'O', 'F']
  • Chemical System: Al-F-Na-O-P
  • Density: 2.8446438784477888
  • Atomic Density: 0.08336856081917751
  • Unit Cell Volume: 647.7261868190751
  • Molar Volume: 7.223515316597273
  • Full Formula: Na15 Al3 P6 O24 F6
  • Reduced Formula: Na5AlP2(O4F)2
  • Formula Anonymous: AB2C2D5E8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -347.75770621
  • Final energy per atom: -6.439957522407407
  • 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.