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  1. Third-Parties
  2. MatprojStructure
  3. mp-677073

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-677073
  • 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: 14
  • Number of elements: 3
  • Element list: ['K', 'I', 'O']
  • Chemical System: I-K-O
  • Density: 3.6265051036425255
  • Atomic Density: 0.04022993812107906
  • Unit Cell Volume: 347.99954098523693
  • Molar Volume: 14.969301573060614
  • Full Formula: K4 I4 O6
  • Reduced Formula: K2I2O3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -55.47910788
  • Final energy per atom: -3.96279342
  • 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.