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  1. Third-Parties
  2. MatprojStructure
  3. mp-541901

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-541901
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 6
  • Element list: ['K', 'H', 'Os', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-K-N-O-Os
  • Density: 2.41112890880952
  • Atomic Density: 0.09175933916801238
  • Unit Cell Volume: 414.1267836554661
  • Molar Volume: 6.562973114892854
  • Full Formula: K1 H18 Os1 N6 Cl4 O8
  • Reduced Formula: KH18OsN6(ClO2)4
  • Formula Anonymous: ABC4D6E8F18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -196.46994909
  • Final energy per atom: -5.170261818157894
  • 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.