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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219984

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-1219984
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 5
  • Element list: ['Pr', 'Fe', 'As', 'Ru', 'O']
  • Chemical System: As-Fe-O-Pr-Ru
  • Density: 6.9992876913800455
  • Atomic Density: 0.05433783713748416
  • Unit Cell Volume: 147.227059843376
  • Molar Volume: 11.08277597572192
  • Full Formula: Pr2 Fe1 As2 Ru1 O2
  • Reduced Formula: Pr2FeAs2RuO2
  • Formula Anonymous: ABC2D2E2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -60.21827344
  • Final energy per atom: -7.52728418
  • 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.