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  1. Third-Parties
  2. MatprojStructure
  3. mp-561410

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-561410
  • 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: 16
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'Mo', 'Cl', 'O']
  • Chemical System: Cl-Fe-Li-Mo-O
  • Density: 3.330549298794052
  • Atomic Density: 0.06214982052560414
  • Unit Cell Volume: 257.4424168032538
  • Molar Volume: 9.689715447398648
  • Full Formula: Li2 Fe2 Mo2 Cl2 O8
  • Reduced Formula: LiFeMoClO4
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -117.03794529
  • Final energy per atom: -7.314871580625
  • 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.