Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-22264

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-22264
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Cs', 'Sr', 'Nb', 'O']
  • Chemical System: Cs-Nb-O-Sr
  • Density: 4.948232957270384
  • Atomic Density: 0.06383849519131697
  • Unit Cell Volume: 250.63247421559288
  • Molar Volume: 9.433400242208569
  • Full Formula: Cs1 Sr2 Nb3 O10
  • Reduced Formula: CsSr2Nb3O10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -134.52317435
  • Final energy per atom: -8.407698396875
  • 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.