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  1. Third-Parties
  2. MatprojStructure
  3. mp-676324

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-676324
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['Li', 'Ti', 'P']
  • Chemical System: Li-P-Ti
  • Density: 1.8027584569889668
  • Atomic Density: 0.06612992860405525
  • Unit Cell Volume: 257.06968628055523
  • Molar Volume: 9.106528446532614
  • Full Formula: Li11 Ti1 P5
  • Reduced Formula: Li11TiP5
  • Formula Anonymous: AB5C11
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -68.10323588
  • Final energy per atom: -4.006072698823529
  • 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.