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  1. Third-Parties
  2. MatprojStructure
  3. mp-1093981

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-1093981
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Co', 'Cu']
  • Chemical System: Co-Cu-Zr
  • Density: 0.49816024249544
  • Atomic Density: 0.0039353539488401566
  • Unit Cell Volume: 1016.4269979270597
  • Molar Volume: 153.02666134452457
  • Full Formula: Zr2 Co1 Cu1
  • Reduced Formula: Zr2CoCu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -16.30153694
  • Final energy per atom: -4.075384235
  • 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.