Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-766098

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-766098
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'Sb', 'P', 'O']
  • Chemical System: Li-O-P-Sb-Ti
  • Density: 2.973885060461719
  • Atomic Density: 0.07443272149525491
  • Unit Cell Volume: 470.2233009474368
  • Molar Volume: 8.090716876963732
  • Full Formula: Li1 Ti3 Sb1 P6 O24
  • Reduced Formula: LiTi3Sb(PO4)6
  • Formula Anonymous: ABC3D6E24
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -280.63290859000006
  • Final energy per atom: -8.01808310257143
  • 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.