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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181855

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-1181855
  • 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: 18
  • Number of elements: 4
  • Element list: ['Co', 'H', 'C', 'N']
  • Chemical System: C-Co-H-N
  • Density: 2.4731378551748104
  • Atomic Density: 0.09506726891781912
  • Unit Cell Volume: 189.33961399017463
  • Molar Volume: 6.334610038293873
  • Full Formula: Co2 H4 C4 N8
  • Reduced Formula: CoH2(CN2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -131.0420006
  • Final energy per atom: -7.280111144444444
  • 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.