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  1. Third-Parties
  2. MatprojStructure
  3. mp-7692

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-7692
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Al', 'Cr', 'B']
  • Chemical System: Al-B-Cr
  • Density: 5.327369201739659
  • Atomic Density: 0.10512143890383835
  • Unit Cell Volume: 47.56403690948177
  • Molar Volume: 5.728746507654693
  • Full Formula: Al1 Cr2 B2
  • Reduced Formula: Al(CrB)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -38.7392652
  • Final energy per atom: -7.74785304
  • 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.