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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235154

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-1235154
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'V', 'Cr', 'O']
  • Chemical System: Cr-Li-O-Ti-V
  • Density: 2.6928788965710897
  • Atomic Density: 0.06597936171825243
  • Unit Cell Volume: 227.34381796619326
  • Molar Volume: 9.127309818054885
  • Full Formula: Li1 Ti1 V2 Cr1 O10
  • Reduced Formula: LiTiV2CrO10
  • Formula Anonymous: ABCD2E10
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -122.31797304
  • Final energy per atom: -8.154531536
  • 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.