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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208599

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-1208599
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Sr', 'Li', 'Ti', 'F']
  • Chemical System: F-Li-Sr-Ti
  • Density: 3.285854205255219
  • Atomic Density: 0.06945323564708573
  • Unit Cell Volume: 259.16719116534466
  • Molar Volume: 8.670785030952969
  • Full Formula: Sr2 Li2 Ti2 F12
  • Reduced Formula: SrLiTiF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -113.02930525
  • Final energy per atom: -6.279405847222222
  • 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.