Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233533

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-1233533
  • 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: 21
  • Number of elements: 6
  • Element list: ['Sr', 'Pr', 'Mg', 'Fe', 'Ru', 'O']
  • Chemical System: Fe-Mg-O-Pr-Ru-Sr
  • Density: 5.812440367540363
  • Atomic Density: 0.0744613654098356
  • Unit Cell Volume: 282.02544882726676
  • Molar Volume: 8.087604527333225
  • Full Formula: Sr2 Pr2 Mg1 Fe2 Ru2 O12
  • Reduced Formula: Sr2Pr2MgFe2(RuO6)2
  • Formula Anonymous: AB2C2D2E2F12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -158.78800087
  • Final energy per atom: -7.5613333747619045
  • 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.