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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222633

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-1222633
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Mg', 'Fe', 'Cl', 'O']
  • Chemical System: Cl-Fe-Mg-O
  • Density: 2.8156360904264512
  • Atomic Density: 0.08125061613939147
  • Unit Cell Volume: 233.84438054480827
  • Molar Volume: 7.411809345136005
  • Full Formula: Mg4 Fe1 Cl1 O13
  • Reduced Formula: Mg4FeClO13
  • Formula Anonymous: ABC4D13
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -97.64997855
  • Final energy per atom: -5.139472555263158
  • 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.