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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211188

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-1211188
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Pr', 'P', 'O']
  • Chemical System: O-P-Pr
  • Density: 2.44081272915061
  • Atomic Density: 0.05779131780118279
  • Unit Cell Volume: 1245.8618827087278
  • Molar Volume: 10.420493923875789
  • Full Formula: Pr4 P12 O56
  • Reduced Formula: PrP3O14
  • Formula Anonymous: AB3C14
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -485.37587923
  • Final energy per atom: -6.741331655972222
  • 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.