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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147553

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-1147553
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['K', 'Cu', 'I', 'O']
  • Chemical System: Cu-I-K-O
  • Density: 3.7904372006653473
  • Atomic Density: 0.06310611745525793
  • Unit Cell Volume: 142.61691834204467
  • Molar Volume: 9.542879522369098
  • Full Formula: K1 Cu1 I1 O6
  • Reduced Formula: KCuIO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 149
  • Spacegroup Symbol: P312
  • Crystal System: trigonal
  • Pointgroup: 312

Thermodynamics:

  • Final energy: -45.62832612
  • Final energy per atom: -5.069814013333333
  • 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.