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  1. Third-Parties
  2. MatprojStructure
  3. mp-1177731

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-1177731
  • 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: 66
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'V', 'O']
  • Chemical System: Li-O-Ti-V
  • Density: 4.06407488693341
  • Atomic Density: 0.09559352054710028
  • Unit Cell Volume: 690.4233636575908
  • Molar Volume: 6.299737393846485
  • Full Formula: Li9 Ti6 V15 O36
  • Reduced Formula: Li3Ti2V5O12
  • Formula Anonymous: A2B3C5D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -554.0181602
  • Final energy per atom: -8.394214548484848
  • 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.