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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246822

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-1246822
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['W', 'C', 'N']
  • Chemical System: C-N-W
  • Density: 7.017398161103258
  • Atomic Density: 0.09530603025491904
  • Unit Cell Volume: 230.83534107081866
  • Molar Volume: 6.318740528686724
  • Full Formula: W4 C6 N12
  • Reduced Formula: W2(CN2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -207.79274392
  • Final energy per atom: -9.445124723636363
  • 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.