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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220623

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-1220623
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Nd', 'Si', 'Pb', 'S']
  • Chemical System: Nd-Pb-S-Si
  • Density: 4.209510472744897
  • Atomic Density: 0.04076739630520706
  • Unit Cell Volume: 637.7645460933968
  • Molar Volume: 14.771953339661323
  • Full Formula: Nd4 Si4 Pb2 S16
  • Reduced Formula: Nd2Si2PbS8
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -154.28447637
  • Final energy per atom: -5.934018321923077
  • 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.