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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233080

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-1233080
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 5
  • Element list: ['Mg', 'Fe', 'Sb', 'I', 'O']
  • Chemical System: Fe-I-Mg-O-Sb
  • Density: 4.8749863074920174
  • Atomic Density: 0.04582988575837941
  • Unit Cell Volume: 894.6127471527392
  • Molar Volume: 13.140204607424597
  • Full Formula: Mg1 Fe6 Sb10 I6 O18
  • Reduced Formula: MgFe6Sb10(IO3)6
  • Formula Anonymous: AB6C6D10E18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -250.48804183
  • Final energy per atom: -6.109464434878048
  • 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.