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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196663

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-1196663
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['La', 'In', 'Sb', 'S']
  • Chemical System: In-La-S-Sb
  • Density: 4.693793145334563
  • Atomic Density: 0.0392307713852773
  • Unit Cell Volume: 3058.8233614247547
  • Molar Volume: 15.350554035396858
  • Full Formula: La32 In8 Sb8 S72
  • Reduced Formula: La4InSbS9
  • Formula Anonymous: ABC4D9
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -739.96147425
  • Final energy per atom: -6.16634561875
  • 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.