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  1. Third-Parties
  2. MatprojStructure
  3. mp-622018

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-622018
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['B', 'As', 'Pb', 'O']
  • Chemical System: As-B-O-Pb
  • Density: 5.841255292602802
  • Atomic Density: 0.0577673985148249
  • Unit Cell Volume: 553.9456652490212
  • Molar Volume: 10.42480865475452
  • Full Formula: B1 As5 Pb6 O20
  • Reduced Formula: BAs5(Pb3O10)2
  • Formula Anonymous: AB5C6D20
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -209.50447991
  • Final energy per atom: -6.5470149971875
  • 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.