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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199204

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-1199204
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 3
  • Element list: ['B', 'Pb', 'O']
  • Chemical System: B-O-Pb
  • Density: 5.455251562599096
  • Atomic Density: 0.08056947862307315
  • Unit Cell Volume: 1638.337522544156
  • Molar Volume: 7.474469070568621
  • Full Formula: B33 Pb18 O81
  • Reduced Formula: B11(Pb2O9)3
  • Formula Anonymous: A6B11C27
  • Spacegroup Number: 145
  • Spacegroup Symbol: P3_2
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -964.98408473
  • Final energy per atom: -7.310485490378787
  • 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.