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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215945

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-1215945
  • 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: 5
  • Number of elements: 3
  • Element list: ['Y', 'Ga', 'Cu']
  • Chemical System: Cu-Ga-Y
  • Density: 6.674867247018419
  • Atomic Density: 0.05557891660526465
  • Unit Cell Volume: 89.96217100652122
  • Molar Volume: 10.835297137529231
  • Full Formula: Y1 Ga3 Cu1
  • Reduced Formula: YGa3Cu
  • Formula Anonymous: ABC3
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -21.980277020000003
  • Final energy per atom: -4.396055404
  • 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.