Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1220616

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-1220616
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Nd', 'Si', 'Pb', 'Se']
  • Chemical System: Nd-Pb-Se-Si
  • Density: 5.4176305924940555
  • Atomic Density: 0.035836248385086214
  • Unit Cell Volume: 725.5223738995036
  • Molar Volume: 16.804607154431388
  • Full Formula: Nd4 Si4 Pb2 Se16
  • Reduced Formula: Nd2Si2PbSe8
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -138.4904163
  • Final energy per atom: -5.326554473076923
  • 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.