Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-756170

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-756170
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'Ta', 'O', 'F']
  • Chemical System: F-Li-O-Sr-Ta
  • Density: 6.738943133832942
  • Atomic Density: 0.07296796772425014
  • Unit Cell Volume: 301.50216164905646
  • Molar Volume: 8.253129349522235
  • Full Formula: Sr3 Li1 Ta4 O12 F2
  • Reduced Formula: Sr3LiTa4(O6F)2
  • Formula Anonymous: AB2C3D4E12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -193.42315174
  • Final energy per atom: -8.791961442727272
  • 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.