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  1. Third-Parties
  2. MatprojStructure
  3. mp-510223

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-510223
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Co', 'Ni', 'H', 'S', 'O']
  • Chemical System: Co-H-Ni-O-S
  • Density: 1.9792820697262865
  • Atomic Density: 0.10878465257266139
  • Unit Cell Volume: 882.477424247671
  • Molar Volume: 5.535836735772617
  • Full Formula: Co2 Ni2 H48 S4 O40
  • Reduced Formula: CoNiH24(SO10)2
  • Formula Anonymous: ABC2D20E24
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -537.00572395
  • Final energy per atom: -5.593809624479166
  • 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.