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  1. Third-Parties
  2. MatprojStructure
  3. mp-743959

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-743959
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 85
  • Number of elements: 5
  • Element list: ['Mg', 'Fe', 'Si', 'H', 'O']
  • Chemical System: Fe-H-Mg-O-Si
  • Density: 3.063686585042321
  • Atomic Density: 0.09366738657473032
  • Unit Cell Volume: 907.4663349573093
  • Molar Volume: 6.429282357734382
  • Full Formula: Mg21 Fe1 Si12 H3 O48
  • Reduced Formula: Mg21FeSi12(HO16)3
  • Formula Anonymous: AB3C12D21E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -601.04487607
  • Final energy per atom: -7.071116189058824
  • 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.