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  1. Third-Parties
  2. MatprojStructure
  3. mp-772941

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-772941
  • 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: 3
  • Element list: ['Li', 'Cr', 'O']
  • Chemical System: Cr-Li-O
  • Density: 3.9438091994644493
  • Atomic Density: 0.09503827740212568
  • Unit Cell Volume: 294.61813455989403
  • Molar Volume: 6.336542417029652
  • Full Formula: Li4 Cr8 O16
  • Reduced Formula: LiCr2O4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 95
  • Spacegroup Symbol: P4_322
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -227.16231494000004
  • Final energy per atom: -8.112939819285716
  • 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.