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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228495

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-1228495
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 6
  • Element list: ['Ba', 'Nb', 'Cu', 'Pb', 'Cl', 'O']
  • Chemical System: Ba-Cl-Cu-Nb-O-Pb
  • Density: 6.941605569834926
  • Atomic Density: 0.062363902283603084
  • Unit Cell Volume: 256.55867279182064
  • Molar Volume: 9.65645275469454
  • Full Formula: Ba2 Nb1 Cu2 Pb2 Cl1 O8
  • Reduced Formula: Ba2NbCu2Pb2ClO8
  • Formula Anonymous: ABC2D2E2F8
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -105.86638693
  • Final energy per atom: -6.616649183125
  • 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.