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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209812

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-1209812
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['P', 'Pb', 'O']
  • Chemical System: O-P-Pb
  • Density: 6.198409759995976
  • Atomic Density: 0.06368117583809671
  • Unit Cell Volume: 596.722649980763
  • Molar Volume: 9.456704718064122
  • Full Formula: P6 Pb8 O24
  • Reduced Formula: P3(PbO3)4
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -268.28954097
  • Final energy per atom: -7.060251078157895
  • 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.