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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196216

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-1196216
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Cu', 'P', 'S']
  • Chemical System: Cu-P-S
  • Density: 4.95821437271567
  • Atomic Density: 0.06256148096956086
  • Unit Cell Volume: 895.1194749888779
  • Molar Volume: 9.625956206072004
  • Full Formula: Cu28 P4 S24
  • Reduced Formula: Cu7PS6
  • Formula Anonymous: AB6C7
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -257.39208135
  • Final energy per atom: -4.596287166964286
  • 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.