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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207419

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-1207419
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Zr', 'Bi']
  • Chemical System: Bi-Zr
  • Density: 10.142938701394487
  • Atomic Density: 0.03705955348790916
  • Unit Cell Volume: 863.4750553710837
  • Molar Volume: 16.249901019354564
  • Full Formula: Zr12 Bi20
  • Reduced Formula: Zr3Bi5
  • Formula Anonymous: A3B5
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -189.86527525
  • Final energy per atom: -5.9332898515625
  • 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.