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  1. Third-Parties
  2. MatprojStructure
  3. mp-903

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-903
  • Created at: Sept. 4, 2022, 2:47 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', 'Cr']
  • Chemical System: Cr-Zr
  • Density: 7.10910702958636
  • Atomic Density: 0.0657917374042771
  • Unit Cell Volume: 91.19686204866724
  • Molar Volume: 9.153339002122935
  • Full Formula: Zr2 Cr4
  • Reduced Formula: ZrCr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -55.90132063
  • Final energy per atom: -9.316886771666667
  • 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.