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  1. Third-Parties
  2. MatprojStructure
  3. mp-1519404

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-1519404
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['K', 'Gd', 'Hf', 'O']
  • Chemical System: Gd-Hf-K-O
  • Density: 2.603847028026236
  • Atomic Density: 0.02560581676482138
  • Unit Cell Volume: 702.9652740751214
  • Molar Volume: 23.518643499290892
  • Full Formula: K1 Gd1 Hf4 O12
  • Reduced Formula: KGdHf4O12
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -98.49220375
  • Final energy per atom: -5.4717890972222225
  • 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.