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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211579

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-1211579
  • 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: 18
  • Number of elements: 5
  • Element list: ['K', 'H', 'Os', 'N', 'Cl']
  • Chemical System: Cl-H-K-N-Os
  • Density: 2.8424133509006126
  • Atomic Density: 0.03979119065554001
  • Unit Cell Volume: 452.36143235371907
  • Molar Volume: 15.134356777940635
  • Full Formula: K2 H4 Os2 N2 Cl8
  • Reduced Formula: KH2OsNCl4
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -76.00633662
  • Final energy per atom: -4.222574256666666
  • 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.