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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207561

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-1207561
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 2
  • Element list: ['Zr', 'Bi']
  • Chemical System: Bi-Zr
  • Density: 10.12936359486164
  • Atomic Density: 0.037168016679747264
  • Unit Cell Volume: 2260.0075953412747
  • Molar Volume: 16.202480783112232
  • Full Formula: Zr32 Bi52
  • Reduced Formula: Zr8Bi13
  • Formula Anonymous: A8B13
  • Spacegroup Number: 116
  • Spacegroup Symbol: P-4c2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -501.33748377
  • Final energy per atom: -5.968303378214285
  • 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.