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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211939

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-1211939
  • 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: 82
  • Number of elements: 5
  • Element list: ['Mn', 'Fe', 'Si', 'H', 'O']
  • Chemical System: Fe-H-Mn-O-Si
  • Density: 3.371415698260003
  • Atomic Density: 0.08326064391911986
  • Unit Cell Volume: 984.8590659430348
  • Molar Volume: 7.2328779559403396
  • Full Formula: Mn4 Fe10 Si16 H4 O48
  • Reduced Formula: Mn2Fe5Si8(HO12)2
  • Formula Anonymous: A2B2C5D8E24
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -665.4196494
  • Final energy per atom: -8.114873773170732
  • 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.