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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205261

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-1205261
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-Fe-Li-O
  • Density: 1.9480483326745281
  • Atomic Density: 0.0734446809820907
  • Unit Cell Volume: 1797.2710649010494
  • Molar Volume: 8.199560103567588
  • Full Formula: Li16 Fe4 C24 Cl4 O84
  • Reduced Formula: Li4FeC6ClO21
  • Formula Anonymous: ABC4D6E21
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -826.21008689
  • Final energy per atom: -6.259167324924242
  • 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.