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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204255

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-1204255
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 4
  • Element list: ['K', 'Hf', 'C', 'O']
  • Chemical System: C-Hf-K-O
  • Density: 2.3566007914001856
  • Atomic Density: 0.06291370710852659
  • Unit Cell Volume: 2161.6910884840886
  • Molar Volume: 9.57206471653588
  • Full Formula: K16 Hf4 C32 O84
  • Reduced Formula: K4HfC8O21
  • Formula Anonymous: AB4C8D21
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -958.14459437
  • Final energy per atom: -7.045180840955883
  • 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.