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  1. Third-Parties
  2. MatprojStructure
  3. mp-774838

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-774838
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 79
  • Number of elements: 5
  • Element list: ['Li', 'Y', 'Ti', 'S', 'O']
  • Chemical System: Li-O-S-Ti-Y
  • Density: 4.14512583353699
  • Atomic Density: 0.06713119816792017
  • Unit Cell Volume: 1176.8000893175113
  • Molar Volume: 8.970703524367881
  • Full Formula: Li2 Y14 Ti14 S14 O35
  • Reduced Formula: Li2Y14Ti14(S2O5)7
  • Formula Anonymous: A2B14C14D14E35
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -692.1229044099999
  • Final energy per atom: -8.761049422911391
  • 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.