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  1. Third-Parties
  2. MatprojStructure
  3. mp-769554

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-769554
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 5
  • Element list: ['Li', 'Mg', 'Cr', 'S', 'O']
  • Chemical System: Cr-Li-Mg-O-S
  • Density: 2.815330848335914
  • Atomic Density: 0.0777099868817553
  • Unit Cell Volume: 450.3925609105626
  • Molar Volume: 7.749506854457947
  • Full Formula: Li1 Mg1 Cr3 S6 O24
  • Reduced Formula: LiMgCr3(SO4)6
  • Formula Anonymous: ABC3D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -249.74388805
  • Final energy per atom: -7.135539658571429
  • 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.