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  1. Third-Parties
  2. MatprojStructure
  3. mp-1063670

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-1063670
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Pb', 'Se']
  • Chemical System: Pb-Se
  • Density: 7.952745620515587
  • Atomic Density: 0.03347257029058503
  • Unit Cell Volume: 119.50083203276138
  • Molar Volume: 17.99127078596015
  • Full Formula: Pb2 Se2
  • Reduced Formula: PbSe
  • Formula Anonymous: AB
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -17.397922559999998
  • Final energy per atom: -4.3494806399999995
  • 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.