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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225320

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-1225320
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 4
  • Element list: ['Fe', 'Cu', 'Sn', 'Se']
  • Chemical System: Cu-Fe-Se-Sn
  • Density: 5.862786161675178
  • Atomic Density: 0.041848020022270435
  • Unit Cell Volume: 645.1918151834017
  • Molar Volume: 14.390503437905002
  • Full Formula: Fe2 Cu3 Sn6 Se16
  • Reduced Formula: Fe2Cu3(Sn3Se8)2
  • Formula Anonymous: A2B3C6D16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -124.92249886
  • Final energy per atom: -4.626759217037037
  • 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.