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  1. Third-Parties
  2. MatprojStructure
  3. mp-17691

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-17691
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Cu', 'Sb', 'S']
  • Chemical System: Cu-S-Sb
  • Density: 4.988585971883433
  • Atomic Density: 0.051467785420938945
  • Unit Cell Volume: 544.0296249585394
  • Molar Volume: 11.700796353965478
  • Full Formula: Cu12 Sb4 S12
  • Reduced Formula: Cu3SbS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -126.77600828
  • Final energy per atom: -4.5277145814285715
  • 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.