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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227161

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-1227161
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Pr', 'Fe', 'O']
  • Chemical System: Ca-Fe-O-Pr
  • Density: 6.030522715829368
  • Atomic Density: 0.08270950176693893
  • Unit Cell Volume: 241.81018592466606
  • Molar Volume: 7.281074884200549
  • Full Formula: Ca1 Pr3 Fe4 O12
  • Reduced Formula: CaPr3(FeO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -162.34238296999996
  • Final energy per atom: -8.117119148499999
  • 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.