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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196196

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-1196196
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Ni', 'Ru', 'C', 'O']
  • Chemical System: C-Ni-O-Ru
  • Density: 2.487343980513986
  • Atomic Density: 0.05703742750676886
  • Unit Cell Volume: 1367.5231056089167
  • Molar Volume: 10.558226454524668
  • Full Formula: Ni2 Ru10 C34 O32
  • Reduced Formula: NiRu5C17O16
  • Formula Anonymous: AB5C16D17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -641.5902017499999
  • Final energy per atom: -8.225515407051281
  • 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.