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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225921

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-1225921
  • 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: ['Cu', 'Sb', 'As', 'S']
  • Chemical System: As-Cu-S-Sb
  • Density: 4.5671667330968715
  • Atomic Density: 0.05129590589563415
  • Unit Cell Volume: 623.8314625948258
  • Molar Volume: 11.740002744570987
  • Full Formula: Cu12 Sb3 As1 S16
  • Reduced Formula: Cu12Sb3AsS16
  • Formula Anonymous: AB3C12D16
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -147.20247733
  • Final energy per atom: -4.6000774165625
  • 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.