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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105845

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-1105845
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Lu', 'Cu', 'S']
  • Chemical System: Cu-Lu-S
  • Density: 6.259140334641852
  • Atomic Density: 0.049818993526805876
  • Unit Cell Volume: 321.16265037331505
  • Molar Volume: 12.088041796267312
  • Full Formula: Lu4 Cu4 S8
  • Reduced Formula: LuCuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -93.30175461
  • Final energy per atom: -5.831359663125
  • 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.