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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193560

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-1193560
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Nb', 'Pb', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Nb-O-Pb-Se
  • Density: 5.610169936645304
  • Atomic Density: 0.05707828793389954
  • Unit Cell Volume: 490.55430731254353
  • Molar Volume: 10.550668175215838
  • Full Formula: Nb2 Pb4 Se4 Cl2 O16
  • Reduced Formula: NbPb2Se2ClO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -183.79564178
  • Final energy per atom: -6.564130063571429
  • 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.