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  1. Third-Parties
  2. MatprojStructure
  3. mp-581963

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-581963
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['K', 'Hf', 'Te']
  • Chemical System: Hf-K-Te
  • Density: 5.443000039945692
  • Atomic Density: 0.027496222306644162
  • Unit Cell Volume: 3491.3887053059884
  • Molar Volume: 21.901702324194606
  • Full Formula: K16 Hf12 Te68
  • Reduced Formula: K4Hf3Te17
  • Formula Anonymous: A3B4C17
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -441.1427038000001
  • Final energy per atom: -4.595236497916668
  • 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.