Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218069

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-1218069
  • 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: 20
  • Number of elements: 4
  • Element list: ['Sr', 'Pr', 'Fe', 'O']
  • Chemical System: Fe-O-Pr-Sr
  • Density: 5.9595668247306826
  • Atomic Density: 0.08227463168496524
  • Unit Cell Volume: 243.0882957529517
  • Molar Volume: 7.319559670663927
  • Full Formula: Sr2 Pr2 Fe4 O12
  • Reduced Formula: SrPr(FeO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -156.14293735
  • Final energy per atom: -7.8071468675
  • 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.