Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218503

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-1218503
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Sr', 'Ru', 'Rh', 'O']
  • Chemical System: O-Rh-Ru-Sr
  • Density: 5.7028306475027195
  • Atomic Density: 0.0703581625142341
  • Unit Cell Volume: 397.96377562212973
  • Molar Volume: 8.559263836348292
  • Full Formula: Sr8 Ru1 Rh3 O16
  • Reduced Formula: Sr8RuRh3O16
  • Formula Anonymous: AB3C8D16
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -191.42424649
  • Final energy per atom: -6.836580231785715
  • 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.