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  1. Third-Parties
  2. MatprojStructure
  3. mp-942701

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-942701
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Li', 'Co', 'S', 'O', 'F']
  • Chemical System: Co-F-Li-O-S
  • Density: 3.2350148522773443
  • Atomic Density: 0.08613786593939682
  • Unit Cell Volume: 371.4974785016607
  • Molar Volume: 6.991281586006482
  • Full Formula: Li4 Co4 S4 O16 F4
  • Reduced Formula: LiCoSO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -206.59417465
  • Final energy per atom: -6.4560679578125
  • 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.