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  1. Third-Parties
  2. MatprojStructure
  3. mp-743588

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-743588
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 47
  • Number of elements: 4
  • Element list: ['Mn', 'H', 'O', 'F']
  • Chemical System: F-H-Mn-O
  • Density: 2.00465524575981
  • Atomic Density: 0.1064568707754932
  • Unit Cell Volume: 441.49334521694004
  • Molar Volume: 5.656883126595076
  • Full Formula: Mn3 H24 O12 F8
  • Reduced Formula: Mn3H24(O3F2)4
  • Formula Anonymous: A3B8C12D24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -260.53627981
  • Final energy per atom: -5.543325102340425
  • 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.