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  1. Third-Parties
  2. MatprojStructure
  3. mp-582444

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-582444
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Os', 'Se', 'Cl']
  • Chemical System: Cl-Os-Se
  • Density: 2.916757472655091
  • Atomic Density: 0.034059155806557266
  • Unit Cell Volume: 880.8204222790579
  • Molar Volume: 17.68141522415709
  • Full Formula: Os2 Se4 Cl24
  • Reduced Formula: Os(SeCl6)2
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -106.20498672
  • Final energy per atom: -3.5401662239999996
  • 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.