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  1. Third-Parties
  2. MatprojStructure
  3. mp-676685

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-676685
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'S']
  • Chemical System: Li-Ni-S
  • Density: 5.259131489785647
  • Atomic Density: 0.07401276166428669
  • Unit Cell Volume: 540.4473377366375
  • Molar Volume: 8.136624853043227
  • Full Formula: Li2 Ni18 S20
  • Reduced Formula: LiNi9S10
  • Formula Anonymous: AB9C10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -214.66446316
  • Final energy per atom: -5.366611579
  • 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.