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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245663

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-1245663
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Cd', 'Cu', 'N']
  • Chemical System: Cd-Cu-N
  • Density: 6.2518619200041625
  • Atomic Density: 0.05945808463515897
  • Unit Cell Volume: 50.45571209379371
  • Molar Volume: 10.128380012495334
  • Full Formula: Cd1 Cu1 N1
  • Reduced Formula: CdCuN
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -12.61125898
  • Final energy per atom: -4.2037529933333335
  • 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.