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  1. Third-Parties
  2. MatprojStructure
  3. mp-561248

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-561248
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Sm', 'Cu', 'Te', 'S']
  • Chemical System: Cu-S-Sm-Te
  • Density: 6.798489859175519
  • Atomic Density: 0.043837945559517255
  • Unit Cell Volume: 729.9612149149351
  • Molar Volume: 13.737278704869846
  • Full Formula: Sm8 Cu8 Te8 S8
  • Reduced Formula: SmCuTeS
  • Formula Anonymous: ABCD
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -174.41922234
  • Final energy per atom: -5.450600698125
  • 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.