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  1. Third-Parties
  2. MatprojStructure
  3. mp-754101

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-754101
  • 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: 16
  • Number of elements: 4
  • Element list: ['Rb', 'Li', 'Ni', 'O']
  • Chemical System: Li-Ni-O-Rb
  • Density: 3.0897506555992558
  • Atomic Density: 0.08568740721625684
  • Unit Cell Volume: 186.7252204238062
  • Molar Volume: 7.028034755213675
  • Full Formula: Rb1 Li7 Ni2 O6
  • Reduced Formula: RbLi7(NiO3)2
  • Formula Anonymous: AB2C6D7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -82.51828214
  • Final energy per atom: -5.15739263375
  • 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.