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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197236

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-1197236
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Pr', 'Mg', 'Ru']
  • Chemical System: Mg-Pr-Ru
  • Density: 6.631612572909539
  • Atomic Density: 0.0335635224703121
  • Unit Cell Volume: 2026.0090418146056
  • Molar Volume: 17.942517104176883
  • Full Formula: Pr46 Mg8 Ru14
  • Reduced Formula: Pr23Mg4Ru7
  • Formula Anonymous: A4B7C23
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -373.64998954
  • Final energy per atom: -5.494852787352941
  • 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.