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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205027

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-1205027
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['Zr', 'Mn', 'H', 'O', 'F']
  • Chemical System: F-H-Mn-O-Zr
  • Density: 2.8241260722120742
  • Atomic Density: 0.10694573301703234
  • Unit Cell Volume: 542.3311277950925
  • Molar Volume: 5.631024810537233
  • Full Formula: Zr2 Mn4 H24 O12 F16
  • Reduced Formula: ZrMn2H12(O3F4)2
  • Formula Anonymous: AB2C6D8E12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -346.55652711
  • Final energy per atom: -5.97511253637931
  • 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.