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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215276

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-1215276
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ga', 'Cu']
  • Chemical System: Cu-Ga-Zr
  • Density: 7.273599952741475
  • Atomic Density: 0.05853542350426397
  • Unit Cell Volume: 102.50203450843632
  • Molar Volume: 10.288027999936348
  • Full Formula: Zr2 Ga2 Cu2
  • Reduced Formula: ZrGaCu
  • Formula Anonymous: ABC
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -33.14386609
  • Final energy per atom: -5.5239776816666675
  • 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.