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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222325

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-1222325
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Lu', 'Cu', 'Pb', 'S']
  • Chemical System: Cu-Lu-Pb-S
  • Density: 7.095540295499186
  • Atomic Density: 0.047310992761702864
  • Unit Cell Volume: 253.64084115592092
  • Molar Volume: 12.728840399381308
  • Full Formula: Lu2 Cu2 Pb2 S6
  • Reduced Formula: LuCuPbS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -65.62366575
  • Final energy per atom: -5.4686388125
  • 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.