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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220562

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-1220562
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Nb', 'W', 'N', 'O']
  • Chemical System: N-Nb-O-W
  • Density: 4.319892693694071
  • Atomic Density: 0.06053919371956323
  • Unit Cell Volume: 297.3280431084318
  • Molar Volume: 9.947507374968469
  • Full Formula: Nb2 W2 N2 O12
  • Reduced Formula: NbWNO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -148.43966776
  • Final energy per atom: -8.246648208888889
  • 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.