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  1. Third-Parties
  2. MatprojStructure
  3. mp-755986

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-755986
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'Cr', 'O']
  • Chemical System: Cr-Li-Nb-O
  • Density: 4.176384031747372
  • Atomic Density: 0.09010648750357056
  • Unit Cell Volume: 310.7434411855248
  • Molar Volume: 6.683359796664327
  • Full Formula: Li4 Nb2 Cr6 O16
  • Reduced Formula: Li2NbCr3O8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -236.43898105
  • Final energy per atom: -8.444249323214285
  • 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.