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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228637

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-1228637
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['B', 'Mo', 'W']
  • Chemical System: B-Mo-W
  • Density: 12.990790074687958
  • Atomic Density: 0.08076543985231878
  • Unit Cell Volume: 74.28920106138368
  • Molar Volume: 7.456333762326565
  • Full Formula: B2 Mo2 W2
  • Reduced Formula: BMoW
  • Formula Anonymous: ABC
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -62.72914021
  • Final energy per atom: -10.454856701666666
  • 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.