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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194403

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-1194403
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Pd', 'Pb', 'Se', 'Cl', 'O']
  • Chemical System: Cl-O-Pb-Pd-Se
  • Density: 5.621664933920181
  • Atomic Density: 0.052044214923612685
  • Unit Cell Volume: 499.57521769059656
  • Molar Volume: 11.571201081309287
  • Full Formula: Pd2 Pb4 Se4 Cl4 O12
  • Reduced Formula: PdPb2Se2(ClO3)2
  • Formula Anonymous: AB2C2D2E6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -141.05464318999998
  • Final energy per atom: -5.4251785842307685
  • 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.