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  1. Third-Parties
  2. MatprojStructure
  3. mp-707931

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-707931
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 5
  • Element list: ['H', 'Os', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Os
  • Density: 3.5603550155517567
  • Atomic Density: 0.0604227038274826
  • Unit Cell Volume: 2118.409006744591
  • Molar Volume: 9.966685332709154
  • Full Formula: H12 Os16 C48 Cl4 O48
  • Reduced Formula: H3Os4C12ClO12
  • Formula Anonymous: AB3C4D12E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1022.39450828
  • Final energy per atom: -7.9874570959375
  • 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.