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  1. Third-Parties
  2. MatprojStructure
  3. mp-677094

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-677094
  • 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: 30
  • Number of elements: 5
  • Element list: ['Mg', 'Ti', 'Nb', 'Pb', 'O']
  • Chemical System: Mg-Nb-O-Pb-Ti
  • Density: 7.998589437824392
  • Atomic Density: 0.07666469532975044
  • Unit Cell Volume: 391.31440972880546
  • Molar Volume: 7.855168189343934
  • Full Formula: Mg1 Ti3 Nb2 Pb6 O18
  • Reduced Formula: MgTi3Nb2(PbO3)6
  • Formula Anonymous: AB2C3D6E18
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -233.64215569
  • Final energy per atom: -7.7880718563333335
  • 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.