Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-753719

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-753719
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'Nb', 'O', 'F']
  • Chemical System: F-Li-Nb-O-Sr
  • Density: 4.186024414516485
  • Atomic Density: 0.07013635798218958
  • Unit Cell Volume: 156.8373425205988
  • Molar Volume: 8.586332300757993
  • Full Formula: Sr1 Li1 Nb2 O6 F1
  • Reduced Formula: SrLiNb2O6F
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -90.51709035
  • Final energy per atom: -8.228826395454545
  • 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.