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  1. Third-Parties
  2. MatprojStructure
  3. mp-24100

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-24100
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 6
  • Element list: ['K', 'Cr', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-Cr-H-K-N-O
  • Density: 1.8742829449588223
  • Atomic Density: 0.09262094362676855
  • Unit Cell Volume: 410.2743776086681
  • Molar Volume: 6.501921189949452
  • Full Formula: K1 Cr1 H18 N6 Cl4 O8
  • Reduced Formula: KCrH18N6(ClO2)4
  • Formula Anonymous: ABC4D6E8F18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -198.10245273
  • Final energy per atom: -5.213222440263158
  • 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.