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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199428

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-1199428
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 182
  • Number of elements: 5
  • Element list: ['K', 'In', 'H', 'N', 'O']
  • Chemical System: H-In-K-N-O
  • Density: 2.2791537695559443
  • Atomic Density: 0.07438063926086215
  • Unit Cell Volume: 2446.873296715068
  • Molar Volume: 8.096382095990872
  • Full Formula: K12 In6 H24 N32 O108
  • Reduced Formula: K6In3H12(N8O27)2
  • Formula Anonymous: A3B6C12D16E54
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -1128.3283260199998
  • Final energy per atom: -6.199606186923076
  • 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.