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  1. Third-Parties
  2. MatprojStructure
  3. mp-30684

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-30684
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Zr', 'Ga']
  • Chemical System: Ga-Zr
  • Density: 6.802046202724205
  • Atomic Density: 0.04957769899034241
  • Unit Cell Volume: 201.70359261626828
  • Molar Volume: 12.146874265328643
  • Full Formula: Zr6 Ga4
  • Reduced Formula: Zr3Ga2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -68.86749759
  • Final energy per atom: -6.886749759
  • 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.