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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229234

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-1229234
  • 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: 40
  • Number of elements: 5
  • Element list: ['Cd', 'Fe', 'Cu', 'Sn', 'Se']
  • Chemical System: Cd-Cu-Fe-Se-Sn
  • Density: 5.434618180538321
  • Atomic Density: 0.03950634704161962
  • Unit Cell Volume: 1012.4955354100525
  • Molar Volume: 15.243476582777252
  • Full Formula: Cd4 Fe1 Cu10 Sn5 Se20
  • Reduced Formula: Cd4FeCu10(SnSe4)5
  • Formula Anonymous: AB4C5D10E20
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -166.22922514000004
  • Final energy per atom: -4.155730628500001
  • 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.