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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178101

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-1178101
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Li', 'Sc', 'Fe', 'Si', 'O']
  • Chemical System: Fe-Li-O-Sc-Si
  • Density: 2.9906206981635974
  • Atomic Density: 0.08778774586187002
  • Unit Cell Volume: 1139.111148352589
  • Molar Volume: 6.859887676664533
  • Full Formula: Li10 Sc9 Fe1 Si20 O60
  • Reduced Formula: Li10Sc9Fe(SiO3)20
  • Formula Anonymous: AB9C10D20E60
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -818.3470183900001
  • Final energy per atom: -8.1834701839
  • 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.