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  1. Third-Parties
  2. MatprojStructure
  3. mp-1021471

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-1021471
  • 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: ['K', 'Hf', 'Mg']
  • Chemical System: Hf-K-Mg
  • Density: 3.0127760763481324
  • Atomic Density: 0.039939346183500216
  • Unit Cell Volume: 400.607459283095
  • Molar Volume: 15.078215683179794
  • Full Formula: K2 Hf2 Mg12
  • Reduced Formula: KHfMg6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -37.55330167
  • Final energy per atom: -2.347081354375
  • 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.