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  1. Third-Parties
  2. MatprojStructure
  3. mp-505697

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-505697
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Bi', 'P', 'Pb', 'O']
  • Chemical System: Bi-O-P-Pb
  • Density: 7.1568136417764086
  • Atomic Density: 0.0701366796612659
  • Unit Cell Volume: 441.9941199058536
  • Molar Volume: 8.586292919888287
  • Full Formula: Bi6 P4 Pb1 O20
  • Reduced Formula: Bi6P4PbO20
  • Formula Anonymous: AB4C6D20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -217.62907043
  • Final energy per atom: -7.020292594516129
  • 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.