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  1. Third-Parties
  2. MatprojStructure
  3. mp-556404

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-556404
  • 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: 72
  • Number of elements: 5
  • Element list: ['Na', 'Mn', 'P', 'O', 'F']
  • Chemical System: F-Mn-Na-O-P
  • Density: 3.169605580979178
  • Atomic Density: 0.0799443521043564
  • Unit Cell Volume: 900.6264746009058
  • Molar Volume: 7.532915836429472
  • Full Formula: Na16 Mn8 P8 O32 F8
  • Reduced Formula: Na2MnPO4F
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -503.41322798
  • Final energy per atom: -6.991850388611111
  • 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.