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  1. Third-Parties
  2. MatprojStructure
  3. mp-29642

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-29642
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Zr', 'Bi']
  • Chemical System: Bi-Zr
  • Density: 10.19307331196961
  • Atomic Density: 0.036166116280116824
  • Unit Cell Volume: 663.604568821081
  • Molar Volume: 16.651333843415237
  • Full Formula: Zr8 Bi16
  • Reduced Formula: ZrBi2
  • Formula Anonymous: AB2
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -137.2201122
  • Final energy per atom: -5.717504675
  • 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.