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  1. Third-Parties
  2. MatprojStructure
  3. mp-754632

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-754632
  • 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: 11
  • Number of elements: 3
  • Element list: ['Pr', 'Re', 'O']
  • Chemical System: O-Pr-Re
  • Density: 4.845887540665436
  • Atomic Density: 0.05005463145996025
  • Unit Cell Volume: 219.7598839339998
  • Molar Volume: 12.031135949561905
  • Full Formula: Pr1 Re2 O8
  • Reduced Formula: Pr(ReO4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -96.81820388
  • Final energy per atom: -8.801654898181818
  • 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.