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  1. Third-Parties
  2. MatprojStructure
  3. mp-684964

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-684964
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 2
  • Element list: ['Cu', 'S']
  • Chemical System: Cu-S
  • Density: 3.407441988633388
  • Atomic Density: 0.047461024133254086
  • Unit Cell Volume: 653.167532014538
  • Molar Volume: 12.688602637591464
  • Full Formula: Cu11 S20
  • Reduced Formula: Cu11S20
  • Formula Anonymous: A11B20
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -132.57147923
  • Final energy per atom: -4.27649933
  • 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.