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  1. Third-Parties
  2. MatprojStructure
  3. mp-15577

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-15577
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Pr', 'Ga', 'O']
  • Chemical System: Ga-O-Pr
  • Density: 5.767887686462016
  • Atomic Density: 0.061509052983530835
  • Unit Cell Volume: 975.4661645671104
  • Molar Volume: 9.790657582734106
  • Full Formula: Pr16 Ga8 O36
  • Reduced Formula: Pr4Ga2O9
  • Formula Anonymous: A2B4C9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -477.14772814
  • Final energy per atom: -7.952462135666667
  • 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.