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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173809

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-1173809
  • 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: 77
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'Fe', 'P', 'O']
  • Chemical System: Fe-Mg-Na-O-P
  • Density: 3.3606954503413142
  • Atomic Density: 0.08664425516076779
  • Unit Cell Volume: 888.6913489778065
  • Molar Volume: 6.950421293167055
  • Full Formula: Na5 Mg4 Fe8 P12 O48
  • Reduced Formula: Na5Mg4Fe8(PO4)12
  • Formula Anonymous: A4B5C8D12E48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -579.58887889
  • Final energy per atom: -7.527128297272728
  • 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.