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  1. Third-Parties
  2. MatprojStructure
  3. mp-16684

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-16684
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Pr', 'Cu', 'S']
  • Chemical System: Cu-Pr-S
  • Density: 5.478761154878079
  • Atomic Density: 0.049137571667520245
  • Unit Cell Volume: 325.6164164615392
  • Molar Volume: 12.255674335613564
  • Full Formula: Pr4 Cu4 S8
  • Reduced Formula: PrCuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -94.60152582
  • Final energy per atom: -5.91259536375
  • 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.