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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211900

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-1211900
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['K', 'S', 'I']
  • Chemical System: I-K-S
  • Density: 1.9753014490464698
  • Atomic Density: 0.021529275334529484
  • Unit Cell Volume: 1393.4514531422635
  • Molar Volume: 27.971869310164188
  • Full Formula: K18 S6 I6
  • Reduced Formula: K3SI
  • Formula Anonymous: ABC3
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -91.23003357
  • Final energy per atom: -3.041001119
  • 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.