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  1. Third-Parties
  2. MatprojStructure
  3. mp-755309

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-755309
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Li', 'Nb', 'S']
  • Chemical System: Li-Nb-S
  • Density: 1.76591601889505
  • Atomic Density: 0.035157228271091565
  • Unit Cell Volume: 227.54922368490838
  • Molar Volume: 17.12916818574055
  • Full Formula: Li3 Nb1 S4
  • Reduced Formula: Li3NbS4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -43.49942693
  • Final energy per atom: -5.43742836625
  • 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.