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  1. Third-Parties
  2. MatprojStructure
  3. mp-1001788

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-1001788
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Zr', 'B']
  • Chemical System: B-Zr
  • Density: 3.876498042977305
  • Atomic Density: 0.10469198420859076
  • Unit Cell Volume: 66.86280762482289
  • Molar Volume: 5.7522462732212105
  • Full Formula: Zr1 B6
  • Reduced Formula: ZrB6
  • Formula Anonymous: AB6
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -48.77019037
  • Final energy per atom: -6.967170052857143
  • 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.