Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-25462

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-25462
  • 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: 26
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'P', 'C', 'O']
  • Chemical System: C-Li-O-P-Ti
  • Density: 2.6315119477852185
  • Atomic Density: 0.0921067279684195
  • Unit Cell Volume: 282.2812249818991
  • Molar Volume: 6.538220272100864
  • Full Formula: Li6 Ti2 P2 C2 O14
  • Reduced Formula: Li3TiPCO7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -188.94621774
  • Final energy per atom: -7.267162220769231
  • 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.