Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-767218

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-767218
  • 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: 51
  • Number of elements: 3
  • Element list: ['Li', 'Nb', 'S']
  • Chemical System: Li-Nb-S
  • Density: 4.1880015290318
  • Atomic Density: 0.056889420801773276
  • Unit Cell Volume: 896.4759929215222
  • Molar Volume: 10.585695328106217
  • Full Formula: Li9 Nb14 S28
  • Reduced Formula: Li9(NbS2)14
  • Formula Anonymous: A9B14C28
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -352.55762285000003
  • Final energy per atom: -6.912894565686275
  • 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.