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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209407

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-1209407
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Pr', 'Re', 'O']
  • Chemical System: O-Pr-Re
  • Density: 8.8283068471739
  • Atomic Density: 0.07767766779920175
  • Unit Cell Volume: 373.33767634432013
  • Molar Volume: 7.752731165368338
  • Full Formula: Pr4 Re6 O19
  • Reduced Formula: Pr4Re6O19
  • Formula Anonymous: A4B6C19
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -263.72445427
  • Final energy per atom: -9.093946698965517
  • 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.