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  1. Third-Parties
  2. MatprojStructure
  3. mp-2280

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-2280
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Cu', 'Se']
  • Chemical System: Cu-Se
  • Density: 6.296869227041948
  • Atomic Density: 0.05136765848346505
  • Unit Cell Volume: 233.61002534041396
  • Molar Volume: 11.723603796226165
  • Full Formula: Cu4 Se8
  • Reduced Formula: CuSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -49.08985579
  • Final energy per atom: -4.090821315833334
  • 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.