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  1. Third-Parties
  2. MatprojStructure
  3. mp-554627

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-554627
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Cu', 'P', 'S', 'Br']
  • Chemical System: Br-Cu-P-S
  • Density: 4.754730393842211
  • Atomic Density: 0.05704975334155349
  • Unit Cell Volume: 455.7425488650151
  • Molar Volume: 10.555945306101151
  • Full Formula: Cu12 P2 S10 Br2
  • Reduced Formula: Cu6PS5Br
  • Formula Anonymous: ABC5D6
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -116.84162934
  • Final energy per atom: -4.493908820769231
  • 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.