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  1. Third-Parties
  2. MatprojStructure
  3. mp-37478

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-37478
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['La', 'Ag', 'S']
  • Chemical System: Ag-La-S
  • Density: 5.289810706198067
  • Atomic Density: 0.042117030530417564
  • Unit Cell Volume: 332.4071004932075
  • Molar Volume: 14.298588205668294
  • Full Formula: La5 Ag1 S8
  • Reduced Formula: La5AgS8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -91.81162971
  • Final energy per atom: -6.557973550714286
  • 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.