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  1. Third-Parties
  2. MatprojStructure
  3. mp-729886

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-729886
  • 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: 5
  • Number of elements: 3
  • Element list: ['Cd', 'Br', 'N']
  • Chemical System: Br-Cd-N
  • Density: 3.3693548752075237
  • Atomic Density: 0.033791704919095986
  • Unit Cell Volume: 147.96530722468685
  • Molar Volume: 17.821358154074183
  • Full Formula: Cd1 Br2 N2
  • Reduced Formula: Cd(BrN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -13.655307259999995
  • Final energy per atom: -2.731061451999999
  • 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.