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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246887

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-1246887
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Cd', 'Si', 'N']
  • Chemical System: Cd-N-Si
  • Density: 7.236649677219676
  • Atomic Density: 0.06786650607714542
  • Unit Cell Volume: 412.574650125229
  • Molar Volume: 8.873509346649575
  • Full Formula: Cd14 Si2 N12
  • Reduced Formula: Cd7SiN6
  • Formula Anonymous: AB6C7
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -118.71940444999998
  • Final energy per atom: -4.239978730357143
  • 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.