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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105775

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-1105775
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Sc', 'Os', 'Cl']
  • Chemical System: Cl-Os-Sc
  • Density: 4.231855197916363
  • Atomic Density: 0.04480930691003768
  • Unit Cell Volume: 401.7022632404931
  • Molar Volume: 13.439486515804573
  • Full Formula: Sc8 Os2 Cl8
  • Reduced Formula: Sc4OsCl4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -119.12848457
  • Final energy per atom: -6.618249142777778
  • 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.