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  1. Third-Parties
  2. MatprojStructure
  3. mp-556063

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-556063
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Pr', 'P', 'H', 'O']
  • Chemical System: H-O-P-Pr
  • Density: 2.8608720376104317
  • Atomic Density: 0.08776464633635447
  • Unit Cell Volume: 250.67041136001262
  • Molar Volume: 6.861693188986814
  • Full Formula: Pr1 P3 H6 O12
  • Reduced Formula: PrP3(HO2)6
  • Formula Anonymous: AB3C6D12
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -150.57138875
  • Final energy per atom: -6.844154034090909
  • 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.