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  1. Third-Parties
  2. MatprojStructure
  3. mp-30445

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-30445
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 2
  • Element list: ['Zr', 'Be']
  • Chemical System: Be-Zr
  • Density: 2.7717755747305075
  • Atomic Density: 0.11214399850271202
  • Unit Cell Volume: 249.67898749680185
  • Molar Volume: 5.37000716971436
  • Full Formula: Zr2 Be26
  • Reduced Formula: ZrBe13
  • Formula Anonymous: AB13
  • Spacegroup Number: 226
  • Spacegroup Symbol: Fm-3c
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -119.86603832
  • Final energy per atom: -4.28092994
  • 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.