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  1. Third-Parties
  2. MatprojStructure
  3. mp-28088

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-28088
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'Bi']
  • Chemical System: Al-Bi-Ca
  • Density: 6.1020310918935
  • Atomic Density: 0.03167375250293026
  • Unit Cell Volume: 820.8689512742338
  • Molar Volume: 19.013032192642374
  • Full Formula: Ca10 Al4 Bi12
  • Reduced Formula: Ca5(AlBi3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -97.0543674
  • Final energy per atom: -3.7328602846153847
  • 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.