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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245937

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-1245937
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 3
  • Element list: ['Cd', 'C', 'N']
  • Chemical System: C-Cd-N
  • Density: 1.6707404935667602
  • Atomic Density: 0.0515906089208328
  • Unit Cell Volume: 872.2517710355721
  • Molar Volume: 11.672939874078901
  • Full Formula: Cd3 C24 N18
  • Reduced Formula: Cd(C4N3)2
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 157
  • Spacegroup Symbol: P31m
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -362.06231779
  • Final energy per atom: -8.045829284222222
  • 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.