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  1. Third-Parties
  2. MatprojStructure
  3. mp-1070916

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-1070916
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Al', 'B', 'W']
  • Chemical System: Al-B-W
  • Density: 10.439683293049994
  • Atomic Density: 0.08509929457933889
  • Unit Cell Volume: 70.50587234193983
  • Molar Volume: 7.0766047941625425
  • Full Formula: Al2 B2 W2
  • Reduced Formula: AlBW
  • Formula Anonymous: ABC
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -48.59421006
  • Final energy per atom: -8.09903501
  • 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.