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  1. Third-Parties
  2. MatprojStructure
  3. mp-601253

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-601253
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Zr', 'Ga', 'Pt']
  • Chemical System: Ga-Pt-Zr
  • Density: 11.02165185908719
  • Atomic Density: 0.05592822444625004
  • Unit Cell Volume: 321.84107717023886
  • Molar Volume: 10.767623717051118
  • Full Formula: Zr6 Ga6 Pt6
  • Reduced Formula: ZrGaPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -123.43741609
  • Final energy per atom: -6.857634227222222
  • 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.