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  1. Third-Parties
  2. MatprojStructure
  3. mp-776275

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-776275
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Li', 'Co', 'C', 'S', 'O']
  • Chemical System: C-Co-Li-O-S
  • Density: 2.6083877593971794
  • Atomic Density: 0.08804088474961357
  • Unit Cell Volume: 613.3514009266817
  • Molar Volume: 6.840163836525317
  • Full Formula: Li8 Co4 C8 S2 O32
  • Reduced Formula: Li4Co2C4SO16
  • Formula Anonymous: AB2C4D4E16
  • Spacegroup Number: 22
  • Spacegroup Symbol: F222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -381.1601358
  • Final energy per atom: -7.058521033333333
  • 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.