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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215384

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-1215384
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'Cu']
  • Chemical System: Cu-Ti-Zr
  • Density: 6.653058099399072
  • Atomic Density: 0.05358388391290631
  • Unit Cell Volume: 111.97396608562802
  • Molar Volume: 11.238716420385302
  • Full Formula: Zr3 Ti1 Cu2
  • Reduced Formula: Zr3TiCu2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -42.43514006
  • Final energy per atom: -7.072523343333334
  • 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.