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  1. Third-Parties
  2. MatprojStructure
  3. mp-648117

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-648117
  • 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: 35
  • Number of elements: 5
  • Element list: ['Si', 'Os', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-O-Os-Si
  • Density: 2.7193587244247044
  • Atomic Density: 0.04875159804665873
  • Unit Cell Volume: 717.925184042224
  • Molar Volume: 12.352704324146224
  • Full Formula: Si2 Os3 C12 Cl6 O12
  • Reduced Formula: Si2Os3C12(ClO2)6
  • Formula Anonymous: A2B3C6D12E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -265.50821632000003
  • Final energy per atom: -7.585949037714286
  • 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.