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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220834

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-1220834
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 5
  • Element list: ['Nb', 'Bi', 'Pb', 'Cl', 'O']
  • Chemical System: Bi-Cl-Nb-O-Pb
  • Density: 7.756722629754463
  • Atomic Density: 0.061693953353885375
  • Unit Cell Volume: 307.971834630426
  • Molar Volume: 9.761314411894041
  • Full Formula: Nb2 Bi3 Pb2 Cl1 O11
  • Reduced Formula: Nb2Bi3Pb2ClO11
  • Formula Anonymous: AB2C2D3E11
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -136.13132396
  • Final energy per atom: -7.164806524210526
  • 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.