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  1. Third-Parties
  2. MatprojStructure
  3. mp-17698

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-17698
  • 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: 22
  • Number of elements: 3
  • Element list: ['K', 'Cd', 'Te']
  • Chemical System: Cd-K-Te
  • Density: 3.099264388936529
  • Atomic Density: 0.023945192318445732
  • Unit Cell Volume: 918.7648070403139
  • Molar Volume: 25.14968633332277
  • Full Formula: K12 Cd2 Te8
  • Reduced Formula: K6CdTe4
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -65.02889615
  • Final energy per atom: -2.9558589159090904
  • 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.