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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198296

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-1198296
  • 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: 52
  • Number of elements: 2
  • Element list: ['Al', 'Ru']
  • Chemical System: Al-Ru
  • Density: 3.2970578663846637
  • Atomic Density: 0.060755664147413325
  • Unit Cell Volume: 855.8872778319205
  • Molar Volume: 9.912064734225101
  • Full Formula: Al48 Ru4
  • Reduced Formula: Al12Ru
  • Formula Anonymous: AB12
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -219.21802055
  • Final energy per atom: -4.215731164423077
  • 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.