Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1245934

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-1245934
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Cd', 'C', 'N']
  • Chemical System: C-Cd-N
  • Density: 2.0162184868247226
  • Atomic Density: 0.062258585252019674
  • Unit Cell Volume: 481.86125461350406
  • Molar Volume: 9.672787673575737
  • Full Formula: Cd2 C16 N12
  • Reduced Formula: Cd(C4N3)2
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -241.41421816
  • Final energy per atom: -8.047140605333333
  • 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.