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  1. Third-Parties
  2. MatprojStructure
  3. mp-558199

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-558199
  • 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: 36
  • Number of elements: 4
  • Element list: ['Cu', 'As', 'S', 'Cl']
  • Chemical System: As-Cl-Cu-S
  • Density: 3.4728116794774797
  • Atomic Density: 0.03803420926876769
  • Unit Cell Volume: 946.5163254902185
  • Molar Volume: 15.83348484372242
  • Full Formula: Cu4 As16 S12 Cl4
  • Reduced Formula: CuAs4S3Cl
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -164.33673048999998
  • Final energy per atom: -4.564909180277777
  • 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.