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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223608

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-1223608
  • 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: ['Mn', 'Fe', 'Cu', 'Sn', 'S']
  • Chemical System: Cu-Fe-Mn-S-Sn
  • Density: 4.274940630849439
  • Atomic Density: 0.04794718336265013
  • Unit Cell Volume: 834.2512989232059
  • Molar Volume: 12.55994687832096
  • Full Formula: Mn2 Fe3 Cu10 Sn5 S20
  • Reduced Formula: Mn2Fe3Cu10(SnS4)5
  • Formula Anonymous: A2B3C5D10E20
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -211.87555792
  • Final energy per atom: -5.296888948
  • 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.