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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229148

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-1229148
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 105
  • Number of elements: 4
  • Element list: ['Ba', 'B', 'Pb', 'O']
  • Chemical System: B-Ba-O-Pb
  • Density: 3.7956994815968064
  • Atomic Density: 0.0688907212862747
  • Unit Cell Volume: 1524.1530069582745
  • Molar Volume: 8.741584712076179
  • Full Formula: Ba13 B30 Pb2 O60
  • Reduced Formula: Ba13B30(PbO30)2
  • Formula Anonymous: A2B13C30D60
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -845.61147348
  • Final energy per atom: -8.053442604571428
  • 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.