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  1. Third-Parties
  2. MatprojStructure
  3. mp-1021520

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-1021520
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'Ti']
  • Chemical System: Ba-Mg-Ti
  • Density: 2.6874438551345095
  • Atomic Density: 0.03911297110979257
  • Unit Cell Volume: 204.53572748394637
  • Molar Volume: 15.39678676696657
  • Full Formula: Ba1 Mg6 Ti1
  • Reduced Formula: BaMg6Ti
  • Formula Anonymous: ABC6
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -17.81178565
  • Final energy per atom: -2.22647320625
  • 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.