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  1. Third-Parties
  2. MatprojStructure
  3. mp-20452

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-20452
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'Pb']
  • Chemical System: Ba-Mg-Pb
  • Density: 6.334922952452647
  • Atomic Density: 0.0317736519126827
  • Unit Cell Volume: 314.72617713195325
  • Molar Volume: 18.953253395453157
  • Full Formula: Ba2 Mg4 Pb4
  • Reduced Formula: Ba(MgPb)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -28.84687651
  • Final energy per atom: -2.884687651
  • 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.