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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205264

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-1205264
  • 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: 196
  • Number of elements: 6
  • Element list: ['Na', 'Mn', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-Mn-Na-O-P
  • Density: 2.9014319252111354
  • Atomic Density: 0.08381011437655769
  • Unit Cell Volume: 2338.6198844613755
  • Molar Volume: 7.1854582287557855
  • Full Formula: Na28 Mn20 P12 H24 O60 F52
  • Reduced Formula: Na7Mn5P3H6O15F13
  • Formula Anonymous: A3B5C6D7E13F15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1247.02097007
  • Final energy per atom: -6.3623518881122445
  • 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.