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  1. Third-Parties
  2. MatprojStructure
  3. mp-774678

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-774678
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'V', 'Cr', 'O']
  • Chemical System: Cr-Li-O-Ti-V
  • Density: 3.713992856974239
  • Atomic Density: 0.09038464519618551
  • Unit Cell Volume: 685.9572205591462
  • Molar Volume: 6.662791834750878
  • Full Formula: Li8 Ti6 V8 Cr4 O36
  • Reduced Formula: Li4Ti3V4Cr2O18
  • Formula Anonymous: A2B3C4D4E18
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -518.79112556
  • Final energy per atom: -8.367598799354838
  • 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.