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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205451

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-1205451
  • 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: 18
  • Number of elements: 4
  • Element list: ['K', 'Os', 'N', 'Cl']
  • Chemical System: Cl-K-N-Os
  • Density: 2.5407978221847434
  • Atomic Density: 0.02995646910129343
  • Unit Cell Volume: 600.8718831026322
  • Molar Volume: 20.10297254872398
  • Full Formula: K4 Os2 N2 Cl10
  • Reduced Formula: K2OsNCl5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -85.0947728
  • Final energy per atom: -4.727487377777778
  • 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.