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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195693

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-1195693
  • 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: 44
  • Number of elements: 4
  • Element list: ['P', 'Pd', 'Pb', 'O']
  • Chemical System: O-P-Pb-Pd
  • Density: 5.159442307157577
  • Atomic Density: 0.07009956435995886
  • Unit Cell Volume: 627.6786510977659
  • Molar Volume: 8.590839065812895
  • Full Formula: P8 Pd4 Pb4 O28
  • Reduced Formula: P2PdPbO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -313.77992485
  • Final energy per atom: -7.131361928409091
  • 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.