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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217509

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-1217509
  • 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: 80
  • Number of elements: 5
  • Element list: ['Ti', 'Ni', 'Bi', 'Pb', 'O']
  • Chemical System: Bi-Ni-O-Pb-Ti
  • Density: 7.671004526288396
  • Atomic Density: 0.07532049788345173
  • Unit Cell Volume: 1062.1278702085742
  • Molar Volume: 7.995354424393806
  • Full Formula: Ti12 Ni4 Bi8 Pb8 O48
  • Reduced Formula: Ti3NiBi2(PbO6)2
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -608.25725957
  • Final energy per atom: -7.6032157446249995
  • 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.