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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198103

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-1198103
  • 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: 68
  • Number of elements: 5
  • Element list: ['Cu', 'As', 'P', 'S', 'Br']
  • Chemical System: As-Br-Cu-P-S
  • Density: 3.2355202118089137
  • Atomic Density: 0.035874595458998085
  • Unit Cell Volume: 1895.4917576065434
  • Molar Volume: 16.786644373127068
  • Full Formula: Cu4 As28 P4 S28 Br4
  • Reduced Formula: CuAs7PS7Br
  • Formula Anonymous: ABCD7E7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -319.62408908
  • Final energy per atom: -4.700354251176471
  • 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.