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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221001

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-1221001
  • 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: 53
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'P', 'O', 'F']
  • Chemical System: F-Fe-Na-O-P
  • Density: 3.062000649804664
  • Atomic Density: 0.07757642693009394
  • Unit Cell Volume: 683.1972301039287
  • Molar Volume: 7.762848842505601
  • Full Formula: Na8 Fe6 P6 O24 F9
  • Reduced Formula: Na8Fe6P6(O8F3)3
  • Formula Anonymous: A6B6C8D9E24
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -364.61812022
  • Final energy per atom: -6.879587173962264
  • 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.