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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201667

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-1201667
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Y', 'P', 'Ru']
  • Chemical System: P-Ru-Y
  • Density: 8.385997401955455
  • Atomic Density: 0.06643632927158004
  • Unit Cell Volume: 541.872201470348
  • Molar Volume: 9.064529642181986
  • Full Formula: Y5 P12 Ru19
  • Reduced Formula: Y5P12Ru19
  • Formula Anonymous: A5B12C19
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -304.51362273
  • Final energy per atom: -8.4587117425
  • 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.