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  1. Third-Parties
  2. MatprojStructure
  3. mp-258

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-258
  • 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: 6
  • Number of elements: 2
  • Element list: ['Zr', 'V']
  • Chemical System: V-Zr
  • Density: 6.4334589517749015
  • Atomic Density: 0.060189214365081525
  • Unit Cell Volume: 99.68563410059843
  • Molar Volume: 10.005348671727662
  • Full Formula: Zr2 V4
  • Reduced Formula: ZrV2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -53.13786662
  • Final energy per atom: -8.856311103333333
  • 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.