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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246190

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-1246190
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ba', 'W', 'N']
  • Chemical System: Ba-N-W
  • Density: 7.493807057409717
  • Atomic Density: 0.048601744394543546
  • Unit Cell Volume: 370.3570771838559
  • Molar Volume: 12.390791390352025
  • Full Formula: Ba6 W4 N8
  • Reduced Formula: Ba3(WN2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -141.05536313000002
  • Final energy per atom: -7.836409062777779
  • 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.