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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246702

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-1246702
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ca', 'Co', 'N']
  • Chemical System: Ca-Co-N
  • Density: 3.5774777696523126
  • Atomic Density: 0.06961852973369953
  • Unit Cell Volume: 373.4637904513868
  • Molar Volume: 8.65019813408229
  • Full Formula: Ca10 Co4 N12
  • Reduced Formula: Ca5(CoN3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -167.08018518999998
  • Final energy per atom: -6.426160968846153
  • 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.