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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222224

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-1222224
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Mg', 'Ti', 'Nb', 'Pb', 'O']
  • Chemical System: Mg-Nb-O-Pb-Ti
  • Density: 7.7786960642558665
  • Atomic Density: 0.0732643488745537
  • Unit Cell Volume: 272.9840680662411
  • Molar Volume: 8.219742415661624
  • Full Formula: Mg1 Ti1 Nb2 Pb4 O12
  • Reduced Formula: MgTiNb2(PbO3)4
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -154.24926417
  • Final energy per atom: -7.7124632085
  • 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.