Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1228871

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-1228871
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 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: 5.45025197029076
  • Atomic Density: 0.04175849123953961
  • Unit Cell Volume: 957.8890140102916
  • Molar Volume: 14.421356187068971
  • Full Formula: Cd1 Fe4 Cu10 Sn5 Se20
  • Reduced Formula: CdFe4Cu10(SnSe4)5
  • Formula Anonymous: AB4C5D10E20
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -186.00381333
  • Final energy per atom: -4.65009533325
  • 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.