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  1. Third-Parties
  2. MatprojStructure
  3. mp-17799

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-17799
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['K', 'Cd', 'C', 'N', 'O']
  • Chemical System: C-Cd-K-N-O
  • Density: 2.575678061763029
  • Atomic Density: 0.06147220014402436
  • Unit Cell Volume: 715.7707044308091
  • Molar Volume: 9.796527122651563
  • Full Formula: K4 Cd4 C12 N12 O12
  • Reduced Formula: KCdC3(NO)3
  • Formula Anonymous: ABC3D3E3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -322.66296016
  • Final energy per atom: -7.3332490945454545
  • 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.