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  1. Third-Parties
  2. MatprojStructure
  3. mp-30052

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-30052
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ni', 'Mo', 'C']
  • Chemical System: C-Mo-Ni
  • Density: 9.612151708191117
  • Atomic Density: 0.08007082465526003
  • Unit Cell Volume: 324.7125293381377
  • Molar Volume: 7.521017531576519
  • Full Formula: Ni12 Mo12 C2
  • Reduced Formula: Ni6Mo6C
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -220.40917815
  • Final energy per atom: -8.477276082692308
  • 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.