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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219744

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-1219744
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Pr', 'Y']
  • Chemical System: Pr-Y
  • Density: 5.555947219794125
  • Atomic Density: 0.029118129460883276
  • Unit Cell Volume: 206.05719224032856
  • Molar Volume: 20.681756938027306
  • Full Formula: Pr3 Y3
  • Reduced Formula: PrY
  • Formula Anonymous: AB
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -33.56716299
  • Final energy per atom: -5.594527165
  • 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.