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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224749

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-1224749
  • 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: 70
  • Number of elements: 3
  • Element list: ['La', 'In', 'S']
  • Chemical System: In-La-S
  • Density: 4.748789347123615
  • Atomic Density: 0.0400754336656749
  • Unit Cell Volume: 1746.705989109629
  • Molar Volume: 15.02701333250459
  • Full Formula: La18 In10 S42
  • Reduced Formula: La9In5S21
  • Formula Anonymous: A5B9C21
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -423.430012
  • Final energy per atom: -6.049000171428571
  • 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.