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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210499

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-1210499
  • Created at: Sept. 4, 2022, 2:44 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: ['Nd', 'Sn', 'Pb', 'S']
  • Chemical System: Nd-Pb-S-Sn
  • Density: 5.681755651399467
  • Atomic Density: 0.04144937208551638
  • Unit Cell Volume: 965.0327131005482
  • Molar Volume: 14.528907090740494
  • Full Formula: Nd4 Sn6 Pb6 S24
  • Reduced Formula: Nd2Sn3(PbS4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -210.23791349
  • Final energy per atom: -5.25594783725
  • 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.