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  1. Third-Parties
  2. MatprojStructure
  3. mp-677454

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-677454
  • 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: 82
  • Number of elements: 3
  • Element list: ['P', 'Pb', 'O']
  • Chemical System: O-P-Pb
  • Density: 6.811177132489293
  • Atomic Density: 0.06327470536678075
  • Unit Cell Volume: 1295.9364966565304
  • Molar Volume: 9.517453657179141
  • Full Formula: P12 Pb20 O50
  • Reduced Formula: P6(Pb2O5)5
  • Formula Anonymous: A6B10C25
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -574.23967656
  • Final energy per atom: -7.002922884878049
  • 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.