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  1. Third-Parties
  2. MatprojStructure
  3. mp-722400

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-722400
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Li', 'Ti', 'As']
  • Chemical System: As-Li-Ti
  • Density: 3.0693267187104216
  • Atomic Density: 0.05412799830805051
  • Unit Cell Volume: 332.5450887276362
  • Molar Volume: 11.12574074091397
  • Full Formula: Li10 Ti2 As6
  • Reduced Formula: Li5TiAs3
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -62.71726149
  • Final energy per atom: -3.484292305
  • 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.