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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225211

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-1225211
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Fe', 'Si', 'H', 'O']
  • Chemical System: Fe-H-O-Si
  • Density: 3.3546933230855527
  • Atomic Density: 0.09318497717078286
  • Unit Cell Volume: 579.4925495451118
  • Molar Volume: 6.462566116170255
  • Full Formula: Fe11 Si4 H12 O27
  • Reduced Formula: Fe11Si4(H4O9)3
  • Formula Anonymous: A4B11C12D27
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -369.99574687
  • Final energy per atom: -6.851773090185185
  • 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.