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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216393

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-1216393
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Zn', 'Fe', 'Cu', 'Sn', 'Se']
  • Chemical System: Cu-Fe-Se-Sn-Zn
  • Density: 5.4089772350501955
  • Atomic Density: 0.041812958571155315
  • Unit Cell Volume: 956.6412271910846
  • Molar Volume: 14.402570317409628
  • Full Formula: Zn3 Fe2 Cu10 Sn5 Se20
  • Reduced Formula: Zn3Fe2Cu10(SnSe4)5
  • Formula Anonymous: A2B3C5D10E20
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -174.45934397999997
  • Final energy per atom: -4.3614835995
  • 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.