Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1523151

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-1523151
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Sm', 'Bi', 'O']
  • Chemical System: Bi-Ca-O-Sm-Sr
  • Density: 6.199802982861958
  • Atomic Density: 0.06403749186148945
  • Unit Cell Volume: 312.31704144908116
  • Molar Volume: 9.404085926765607
  • Full Formula: Sr2 Ca2 Sm2 Bi2 O12
  • Reduced Formula: SrCaSmBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 90
  • Spacegroup Symbol: P42_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -138.44512522
  • Final energy per atom: -6.922256260999999
  • 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.