Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1173211

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-1173211
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Cr', 'Ni', 'O']
  • Chemical System: Cr-La-Ni-O-Sr
  • Density: 6.0463292780765325
  • Atomic Density: 0.07154285341886862
  • Unit Cell Volume: 377.3961857786211
  • Molar Volume: 8.417529455725802
  • Full Formula: Sr4 La4 Cr1 Ni3 O15
  • Reduced Formula: Sr4La4Cr(NiO5)3
  • Formula Anonymous: AB3C4D4E15
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -203.83731162
  • Final energy per atom: -7.54953006
  • 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.