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  1. Third-Parties
  2. MatprojStructure
  3. mp-559971

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-559971
  • 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: 60
  • Number of elements: 5
  • Element list: ['Li', 'S', 'N', 'O', 'F']
  • Chemical System: F-Li-N-O-S
  • Density: 2.173795718378375
  • Atomic Density: 0.06997785001732269
  • Unit Cell Volume: 857.4141672707475
  • Molar Volume: 8.60578134153771
  • Full Formula: Li6 S12 N6 O24 F12
  • Reduced Formula: LiS2N(O2F)2
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -357.57294123
  • Final energy per atom: -5.959549020500001
  • 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.