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  1. Third-Parties
  2. MatprojStructure
  3. mp-568916

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-568916
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['K', 'In', 'Te', 'Cl']
  • Chemical System: Cl-In-K-Te
  • Density: 3.1937680767005823
  • Atomic Density: 0.02578018059452442
  • Unit Cell Volume: 930.9477065919965
  • Molar Volume: 23.35957553873409
  • Full Formula: K12 In2 Te8 Cl2
  • Reduced Formula: K6InTe4Cl
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -79.01975881999999
  • Final energy per atom: -3.292489950833333
  • 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.