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  1. Third-Parties
  2. MatprojStructure
  3. mp-769110

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-769110
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Li', 'Co', 'S', 'O']
  • Chemical System: Co-Li-O-S
  • Density: 3.0760476537303534
  • Atomic Density: 0.08073678904333102
  • Unit Cell Volume: 891.7867660225869
  • Molar Volume: 7.458979767907228
  • Full Formula: Li4 Co8 S12 O48
  • Reduced Formula: LiCo2(SO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -480.46967492
  • Final energy per atom: -6.673189929444444
  • 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.