Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1228582

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-1228582
  • 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: 54
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Sm', 'Co', 'O']
  • Chemical System: Ba-Co-O-Sm-Sr
  • Density: 6.041148700576408
  • Atomic Density: 0.06544189680155571
  • Unit Cell Volume: 825.159456544302
  • Molar Volume: 9.202271105101648
  • Full Formula: Ba8 Sr4 Sm4 Co8 O30
  • Reduced Formula: Ba4Sr2Sm2Co4O15
  • Formula Anonymous: A2B2C4D4E15
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -386.05232911
  • Final energy per atom: -7.149117205740741
  • 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.