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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246918

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-1246918
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['B', 'W', 'N']
  • Chemical System: B-N-W
  • Density: 9.383204145016434
  • Atomic Density: 0.09069815153948824
  • Unit Cell Volume: 308.71632469609193
  • Molar Volume: 6.639761293677607
  • Full Formula: B2 W8 N18
  • Reduced Formula: BW4N9
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -277.25899847
  • Final energy per atom: -9.902107088214285
  • 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.