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  1. Third-Parties
  2. MatprojStructure
  3. mp-694995

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-694995
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 5
  • Element list: ['Li', 'Mg', 'Cr', 'S', 'O']
  • Chemical System: Cr-Li-Mg-O-S
  • Density: 2.822099273811218
  • Atomic Density: 0.07789681190631927
  • Unit Cell Volume: 898.6247098813726
  • Molar Volume: 7.730920704742555
  • Full Formula: Li2 Mg2 Cr6 S12 O48
  • Reduced Formula: LiMgCr3(SO4)6
  • Formula Anonymous: ABC3D6E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -499.5563081200001
  • Final energy per atom: -7.136518687428572
  • 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.