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  1. Third-Parties
  2. MatprojStructure
  3. mp-1084

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-1084
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 2
  • Element list: ['Zr', 'B']
  • Chemical System: B-Zr
  • Density: 3.608852766615364
  • Atomic Density: 0.12786674792826944
  • Unit Cell Volume: 101.66833997602511
  • Molar Volume: 4.709700416701217
  • Full Formula: Zr1 B12
  • Reduced Formula: ZrB12
  • Formula Anonymous: AB12
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -91.45613101
  • Final energy per atom: -7.03508700076923
  • 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.