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  1. Third-Parties
  2. MatprojStructure
  3. mp-29133

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-29133
  • 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: 4
  • Number of elements: 3
  • Element list: ['Os', 'Cl', 'O']
  • Chemical System: Cl-O-Os
  • Density: 5.372875919183908
  • Atomic Density: 0.04670094846421136
  • Unit Cell Volume: 85.65136536927822
  • Molar Volume: 12.895114463499572
  • Full Formula: Os1 Cl2 O1
  • Reduced Formula: OsCl2O
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -24.46421283
  • Final energy per atom: -6.1160532075
  • 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.