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  1. Third-Parties
  2. MatprojStructure
  3. mp-695469

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-695469
  • 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: 139
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'Ni', 'S', 'O']
  • Chemical System: Cr-Li-Ni-O-S
  • Density: 2.970788144053929
  • Atomic Density: 0.07824110858470257
  • Unit Cell Volume: 1776.5596949526964
  • Molar Volume: 7.696901116221438
  • Full Formula: Li3 Cr13 Ni3 S24 O96
  • Reduced Formula: Li3Cr13Ni3(SO4)24
  • Formula Anonymous: A3B3C13D24E96
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -999.27153481
  • Final energy per atom: -7.189003847553957
  • 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.