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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225836

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-1225836
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Cu', 'Bi', 'Pb', 'Se', 'O']
  • Chemical System: Bi-Cu-O-Pb-Se
  • Density: 8.315546472020696
  • Atomic Density: 0.054574210836166905
  • Unit Cell Volume: 293.1787698778162
  • Molar Volume: 11.03477387529911
  • Full Formula: Cu4 Bi3 Pb1 Se4 O4
  • Reduced Formula: Cu4Bi3Pb(SeO)4
  • Formula Anonymous: AB3C4D4E4
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -81.04672513999999
  • Final energy per atom: -5.0654203212499995
  • 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.