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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097569

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-1097569
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Nb', 'Pt']
  • Chemical System: Nb-Pt-Zr
  • Density: 0.871163167152706
  • Atomic Density: 0.004460747628060451
  • Unit Cell Volume: 896.7106712870045
  • Molar Volume: 135.0029470871108
  • Full Formula: Zr2 Nb1 Pt1
  • Reduced Formula: Zr2NbPt
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -20.78814922
  • Final energy per atom: -5.197037305
  • 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.