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  1. Third-Parties
  2. MatprojStructure
  3. mp-29674

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-29674
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Al', 'B', 'Ru']
  • Chemical System: Al-B-Ru
  • Density: 7.89156718664936
  • Atomic Density: 0.08782292037135292
  • Unit Cell Volume: 79.70584410539985
  • Molar Volume: 6.857140179961917
  • Full Formula: Al2 B2 Ru3
  • Reduced Formula: Al2B2Ru3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -51.97161759
  • Final energy per atom: -7.424516798571429
  • 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.