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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246575

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-1246575
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Lu', 'Mg', 'Ti', 'S']
  • Chemical System: Lu-Mg-S-Ti
  • Density: 4.088695459057935
  • Atomic Density: 0.045913520577865546
  • Unit Cell Volume: 304.92107387533383
  • Molar Volume: 13.116268768340134
  • Full Formula: Lu2 Mg2 Ti2 S8
  • Reduced Formula: LuMgTiS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -87.3134448
  • Final energy per atom: -6.2366746285714285
  • 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.