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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104960

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-1104960
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Sc', 'Cu', 'Si']
  • Chemical System: Cu-Sc-Si
  • Density: 4.985338566085186
  • Atomic Density: 0.06586570449447403
  • Unit Cell Volume: 167.0064881933036
  • Molar Volume: 9.143059815757749
  • Full Formula: Sc3 Cu4 Si4
  • Reduced Formula: Sc3(CuSi)4
  • Formula Anonymous: A3B4C4
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -63.61231038
  • Final energy per atom: -5.782937307272727
  • 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.