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  1. Third-Parties
  2. MatprojStructure
  3. mp-637736

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-637736
  • 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: 18
  • Number of elements: 3
  • Element list: ['Zr', 'Ge', 'Ru']
  • Chemical System: Ge-Ru-Zr
  • Density: 8.731958964155762
  • Atomic Density: 0.05954511615443327
  • Unit Cell Volume: 302.2917942307156
  • Molar Volume: 10.113576308057361
  • Full Formula: Zr6 Ge6 Ru6
  • Reduced Formula: ZrGeRu
  • Formula Anonymous: ABC
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -148.89627503
  • Final energy per atom: -8.272015279444444
  • 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.