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  1. Third-Parties
  2. MatprojStructure
  3. mp-555896

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-555896
  • 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: 38
  • Number of elements: 3
  • Element list: ['Pr', 'Sb', 'O']
  • Chemical System: O-Pr-Sb
  • Density: 6.521293390726202
  • Atomic Density: 0.03812896317254933
  • Unit Cell Volume: 996.6177110044739
  • Molar Volume: 15.794137209415641
  • Full Formula: Pr18 Sb10 O10
  • Reduced Formula: Pr9(SbO)5
  • Formula Anonymous: A5B5C9
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -265.88989804000005
  • Final energy per atom: -6.997102580000001
  • 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.