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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195127

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-1195127
  • 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: 165
  • Number of elements: 5
  • Element list: ['Ba', 'Zn', 'B', 'Pb', 'O']
  • Chemical System: B-Ba-O-Pb-Zn
  • Density: 4.362770521112034
  • Atomic Density: 0.07716360849025773
  • Unit Cell Volume: 2138.313684757654
  • Molar Volume: 7.804379393118095
  • Full Formula: Ba12 Zn12 B42 Pb6 O93
  • Reduced Formula: Ba4Zn4B14Pb2O31
  • Formula Anonymous: A2B4C4D14E31
  • Spacegroup Number: 145
  • Spacegroup Symbol: P3_2
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -1254.9432065
  • Final energy per atom: -7.6057164030303035
  • 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.