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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196318

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-1196318
  • 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: 160
  • Number of elements: 6
  • Element list: ['Cs', 'Li', 'B', 'P', 'Pb', 'O']
  • Chemical System: B-Cs-Li-O-P-Pb
  • Density: 3.981572945844778
  • Atomic Density: 0.07359068005272135
  • Unit Cell Volume: 2174.1883603382093
  • Molar Volume: 8.183292715443935
  • Full Formula: Cs8 Li12 B12 P24 Pb8 O96
  • Reduced Formula: Cs2Li3B3P6(PbO12)2
  • Formula Anonymous: A2B2C3D3E6F24
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -1175.08617637
  • Final energy per atom: -7.3442886023125
  • 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.