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  1. Third-Parties
  2. MatprojStructure
  3. mp-556871

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-556871
  • 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: 144
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'P', 'O', 'F']
  • Chemical System: F-Fe-Na-O-P
  • Density: 3.13458834124839
  • Atomic Density: 0.07946374463382723
  • Unit Cell Volume: 1812.1471705563204
  • Molar Volume: 7.5784759298096445
  • Full Formula: Na24 Fe16 P16 O64 F24
  • Reduced Formula: Na3Fe2P2O8F3
  • Formula Anonymous: A2B2C3D3E8
  • Spacegroup Number: 135
  • Spacegroup Symbol: P4_2/mbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -987.11257341
  • Final energy per atom: -6.854948426458333
  • 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.