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  1. Third-Parties
  2. MatprojStructure
  3. mp-15226

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-15226
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Cr', 'W', 'N']
  • Chemical System: Cr-N-W
  • Density: 11.630281603117107
  • Atomic Density: 0.10618052020809397
  • Unit Cell Volume: 37.671693378039095
  • Molar Volume: 5.671606004752784
  • Full Formula: Cr1 W1 N2
  • Reduced Formula: CrWN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -41.14961865
  • Final energy per atom: -10.2874046625
  • 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.