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  1. Third-Parties
  2. MatprojStructure
  3. mp-621944

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-621944
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Os', 'C', 'I', 'O']
  • Chemical System: C-I-O-Os
  • Density: 3.408123888142556
  • Atomic Density: 0.05128308835664054
  • Unit Cell Volume: 1130.9771283010045
  • Molar Volume: 11.74293700511936
  • Full Formula: Os6 C24 I4 O24
  • Reduced Formula: Os3C12(IO6)2
  • Formula Anonymous: A2B3C12D12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -469.03348804
  • Final energy per atom: -8.086784276551723
  • 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.