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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209635

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-1209635
  • 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: 18
  • Number of elements: 3
  • Element list: ['Pr', 'Sn', 'Au']
  • Chemical System: Au-Pr-Sn
  • Density: 7.57767849558951
  • Atomic Density: 0.03265690586387274
  • Unit Cell Volume: 551.1851023189802
  • Molar Volume: 18.440634838777225
  • Full Formula: Pr10 Sn6 Au2
  • Reduced Formula: Pr5Sn3Au
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -91.76098524
  • Final energy per atom: -5.0978325133333335
  • 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.