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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173540

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-1173540
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 3
  • Element list: ['Sm', 'Cu', 'Se']
  • Chemical System: Cu-Se-Sm
  • Density: 6.929793960321645
  • Atomic Density: 0.03959833688770748
  • Unit Cell Volume: 2070.7940394702605
  • Molar Volume: 15.208064866657201
  • Full Formula: Sm31 Cu3 Se48
  • Reduced Formula: Sm31(CuSe16)3
  • Formula Anonymous: A3B31C48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -489.9693581199999
  • Final energy per atom: -5.975236074634146
  • 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.