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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219867

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-1219867
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Pr', 'Cu', 'P', 'O']
  • Chemical System: Cu-O-P-Pr
  • Density: 6.4946008224084615
  • Atomic Density: 0.05927398805740858
  • Unit Cell Volume: 421.7701696701557
  • Molar Volume: 10.15983732049104
  • Full Formula: Pr6 Cu8 P8 O3
  • Reduced Formula: Pr6Cu8P8O3
  • Formula Anonymous: A3B6C8D8
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -151.97913212
  • Final energy per atom: -6.0791652848
  • 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.