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  1. Third-Parties
  2. MatprojStructure
  3. mp-771145

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-771145
  • 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: 48
  • Number of elements: 5
  • Element list: ['Li', 'Ni', 'C', 'S', 'O']
  • Chemical System: C-Li-Ni-O-S
  • Density: 2.73540831746259
  • Atomic Density: 0.08645477684338883
  • Unit Cell Volume: 555.2035613596121
  • Molar Volume: 6.96565416033517
  • Full Formula: Li8 Ni4 C4 S4 O28
  • Reduced Formula: Li2NiCSO7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -325.27701584
  • Final energy per atom: -6.776604496666667
  • 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.