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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195870

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-1195870
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 51
  • Number of elements: 3
  • Element list: ['Ni', 'C', 'O']
  • Chemical System: C-Ni-O
  • Density: 3.637733115360729
  • Atomic Density: 0.08618208106053575
  • Unit Cell Volume: 591.7703468331977
  • Molar Volume: 6.987694757301052
  • Full Formula: Ni12 C8 O31
  • Reduced Formula: Ni12C8O31
  • Formula Anonymous: A8B12C31
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -366.81992352
  • Final energy per atom: -7.19254752
  • 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.