Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218787

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-1218787
  • 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: 34
  • Number of elements: 6
  • Element list: ['Sr', 'Ce', 'Y', 'Cu', 'Ru', 'O']
  • Chemical System: Ce-Cu-O-Ru-Sr-Y
  • Density: 5.924539203916431
  • Atomic Density: 0.07909791977835753
  • Unit Cell Volume: 429.8469554606788
  • Molar Volume: 7.613526091298996
  • Full Formula: Sr4 Ce1 Y3 Cu4 Ru2 O20
  • Reduced Formula: Sr4CeY3Cu4(RuO10)2
  • Formula Anonymous: AB2C3D4E4F20
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -251.1028604
  • Final energy per atom: -7.385378247058823
  • 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.