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  1. Third-Parties
  2. MatprojStructure
  3. mp-724972

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-724972
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Na', 'C', 'N']
  • Chemical System: C-N-Na
  • Density: 2.048403474705409
  • Atomic Density: 0.07348310546364041
  • Unit Cell Volume: 190.5199829493764
  • Molar Volume: 8.195272535099605
  • Full Formula: Na5 C3 N6
  • Reduced Formula: Na5(CN2)3
  • Formula Anonymous: A3B5C6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -91.30175369
  • Final energy per atom: -6.521553835
  • 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.