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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246967

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-1246967
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Sc', 'W', 'N']
  • Chemical System: N-Sc-W
  • Density: 5.602060709056989
  • Atomic Density: 0.06228656477606127
  • Unit Cell Volume: 321.0965329667152
  • Molar Volume: 9.668442595367695
  • Full Formula: Sc4 W4 N12
  • Reduced Formula: ScWN3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -197.70580577
  • Final energy per atom: -9.8852902885
  • 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.