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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078511

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-1078511
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Cu', 'As', 'Pt', 'S']
  • Chemical System: As-Cu-Pt-S
  • Density: 7.392644704440692
  • Atomic Density: 0.05597385825016225
  • Unit Cell Volume: 178.65482767522127
  • Molar Volume: 10.758845197137262
  • Full Formula: Cu2 As2 Pt2 S4
  • Reduced Formula: CuAsPtS2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -51.96881147
  • Final energy per atom: -5.196881147
  • 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.