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  1. Third-Parties
  2. MatprojStructure
  3. mp-570226

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-570226
  • 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: 24
  • Number of elements: 4
  • Element list: ['Sm', 'Cu', 'Ge', 'Se']
  • Chemical System: Cu-Ge-Se-Sm
  • Density: 6.43351136573528
  • Atomic Density: 0.0407831440444777
  • Unit Cell Volume: 588.4784158334098
  • Molar Volume: 14.766249393210861
  • Full Formula: Sm6 Cu2 Ge2 Se14
  • Reduced Formula: Sm3CuGeSe7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -132.40633741
  • Final energy per atom: -5.516930725416667
  • 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.