Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222350

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-1222350
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Li', 'Mg', 'S', 'O', 'F']
  • Chemical System: F-Li-Mg-O-S
  • Density: 2.6583819248464815
  • Atomic Density: 0.08753730061117224
  • Unit Cell Volume: 182.7792254078023
  • Molar Volume: 6.879513896309713
  • Full Formula: Li2 Mg2 S2 O8 F2
  • Reduced Formula: LiMgSO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -100.73764338
  • Final energy per atom: -6.29610271125
  • 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.