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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221002

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-1221002
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 79
  • Number of elements: 5
  • Element list: ['Na', 'Mn', 'Fe', 'P', 'O']
  • Chemical System: Fe-Mn-Na-O-P
  • Density: 3.5602286343121454
  • Atomic Density: 0.0861053480784555
  • Unit Cell Volume: 917.4807577343348
  • Molar Volume: 6.993921857807119
  • Full Formula: Na7 Mn4 Fe8 P12 O48
  • Reduced Formula: Na7Mn4Fe8(PO4)12
  • Formula Anonymous: A4B7C8D12E48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -609.92503207
  • Final energy per atom: -7.720570026202532
  • 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.