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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189200

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-1189200
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Tm', 'Cu', 'S']
  • Chemical System: Cu-S-Tm
  • Density: 5.960598833205235
  • Atomic Density: 0.048407727029839503
  • Unit Cell Volume: 330.52574416760524
  • Molar Volume: 12.440453476131674
  • Full Formula: Tm4 Cu4 S8
  • Reduced Formula: TmCuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -93.23865473
  • Final energy per atom: -5.827415920625
  • 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.