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  1. Third-Parties
  2. MatprojStructure
  3. mp-1016618

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-1016618
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'Sb']
  • Chemical System: Ba-Mg-Sb
  • Density: 3.0318453542701524
  • Atomic Density: 0.03607297197653163
  • Unit Cell Volume: 443.5453782518748
  • Molar Volume: 16.694329383001453
  • Full Formula: Ba2 Mg12 Sb2
  • Reduced Formula: BaMg6Sb
  • Formula Anonymous: ABC6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -32.30227958
  • Final energy per atom: -2.01889247375
  • 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.