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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227674

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-1227674
  • 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: 33
  • Number of elements: 4
  • Element list: ['Bi', 'Sb', 'Pb', 'O']
  • Chemical System: Bi-O-Pb-Sb
  • Density: 8.111991430319398
  • Atomic Density: 0.06715609596935915
  • Unit Cell Volume: 491.3924718771127
  • Molar Volume: 8.967377678934286
  • Full Formula: Bi3 Sb5 Pb4 O21
  • Reduced Formula: Bi3Sb5Pb4O21
  • Formula Anonymous: A3B4C5D21
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -210.52512879
  • Final energy per atom: -6.379549357272727
  • 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.