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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196424

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-1196424
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 3
  • Element list: ['Cd', 'P', 'N']
  • Chemical System: Cd-N-P
  • Density: 4.623972221248022
  • Atomic Density: 0.08460759469824543
  • Unit Cell Volume: 1985.6373485048848
  • Molar Volume: 7.1177307208390435
  • Full Formula: Cd24 P48 N96
  • Reduced Formula: Cd(PN2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -1147.23046699
  • Final energy per atom: -6.828752779702381
  • 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.