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  1. Third-Parties
  2. MatprojStructure
  3. mp-28742

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-28742
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Ni', 'C']
  • Chemical System: C-Ca-Ni
  • Density: 3.4867482148779465
  • Atomic Density: 0.06355782459569138
  • Unit Cell Volume: 188.80444817511085
  • Molar Volume: 9.475058025205355
  • Full Formula: Ca4 Ni3 C5
  • Reduced Formula: Ca4Ni3C5
  • Formula Anonymous: A3B4C5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -73.69105544
  • Final energy per atom: -6.140921286666667
  • 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.