Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1520675

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-1520675
  • 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: 20
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Sm', 'W', 'O']
  • Chemical System: Ba-O-Sm-Sr-W
  • Density: 7.0304219578758405
  • Atomic Density: 0.06462431071907962
  • Unit Cell Volume: 309.48105716654425
  • Molar Volume: 9.318692444052681
  • Full Formula: Ba2 Sr2 Sm2 W2 O12
  • Reduced Formula: BaSrSmWO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -163.74129208
  • Final energy per atom: -8.187064604
  • 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.