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  1. Third-Parties
  2. MatprojStructure
  3. mp-1029655

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-1029655
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Sr', 'W', 'N']
  • Chemical System: N-Sr-W
  • Density: 5.4629675719625075
  • Atomic Density: 0.04712131092609027
  • Unit Cell Volume: 297.10548634690974
  • Molar Volume: 12.78007899535249
  • Full Formula: Sr6 W2 N6
  • Reduced Formula: Sr3WN3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -99.42487845
  • Final energy per atom: -7.101777032142857
  • 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.