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  1. Third-Parties
  2. MatprojStructure
  3. mp-1350358

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-1350358
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ca', 'Co', 'N']
  • Chemical System: Ca-Co-N
  • Density: 2.257993970987279
  • Atomic Density: 0.04160840002549347
  • Unit Cell Volume: 865.209909007383
  • Molar Volume: 14.473377386081257
  • Full Formula: Ca12 Co8 N16
  • Reduced Formula: Ca3(CoN2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -224.28199355
  • Final energy per atom: -6.230055376388889
  • 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.