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  1. Third-Parties
  2. MatprojStructure
  3. mp-774631

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-774631
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'V', 'O']
  • Chemical System: Li-O-Ti-V
  • Density: 3.900814400966443
  • Atomic Density: 0.09600338493599184
  • Unit Cell Volume: 583.3127658710865
  • Molar Volume: 6.272842112822512
  • Full Formula: Li8 Ti4 V12 O32
  • Reduced Formula: Li2TiV3O8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -465.17705239
  • Final energy per atom: -8.306733078392856
  • 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.