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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105574

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-1105574
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ce', 'Lu', 'S']
  • Chemical System: Ce-Lu-S
  • Density: 6.259191516664379
  • Atomic Density: 0.04396247332967532
  • Unit Cell Volume: 454.9334576792272
  • Molar Volume: 13.698366592889045
  • Full Formula: Ce2 Lu6 S12
  • Reduced Formula: Ce(LuS2)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -136.12001188
  • Final energy per atom: -6.8060005939999995
  • 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.