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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197404

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-1197404
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Y', 'Sn', 'Pb', 'S']
  • Chemical System: Pb-S-Sn-Y
  • Density: 5.4389967523623595
  • Atomic Density: 0.04252930286865168
  • Unit Cell Volume: 940.5279960392667
  • Molar Volume: 14.159979952172966
  • Full Formula: Y4 Sn6 Pb6 S24
  • Reduced Formula: Y2Sn3(PbS4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -216.95032049
  • Final energy per atom: -5.4237580122499995
  • 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.