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  1. Third-Parties
  2. MatprojStructure
  3. mp-12843

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-12843
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['S', 'Cu', 'Y']
  • Chemical System: Cu-S-Y
  • Density: 4.2986369815355445
  • Atomic Density: 0.047810094867865555
  • Unit Cell Volume: 334.6573572844765
  • Molar Volume: 12.595960699604555
  • Full Formula: Y4 Cu4 S8
  • Reduced Formula: YCuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -101.33098159
  • Final energy per atom: -6.333186349375
  • 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.