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  1. Third-Parties
  2. MatprojStructure
  3. mp-980066

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-980066
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Sm', 'Cu', 'As']
  • Chemical System: As-Cu-Sm
  • Density: 7.92666391061055
  • Atomic Density: 0.053326592415049646
  • Unit Cell Volume: 600.0758449168987
  • Molar Volume: 11.292941264892171
  • Full Formula: Sm8 Cu12 As12
  • Reduced Formula: Sm2(CuAs)3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -167.65020158
  • Final energy per atom: -5.239068799375
  • 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.