Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-766028

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-766028
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 65
  • Number of elements: 5
  • Element list: ['K', 'Li', 'Ti', 'P', 'O']
  • Chemical System: K-Li-O-P-Ti
  • Density: 2.736013588060149
  • Atomic Density: 0.07326464736378843
  • Unit Cell Volume: 887.1946066600016
  • Molar Volume: 8.219708927414406
  • Full Formula: K4 Li5 Ti8 P8 O40
  • Reduced Formula: K4Li5Ti8(PO5)8
  • Formula Anonymous: A4B5C8D8E40
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -513.13078892
  • Final energy per atom: -7.894319829538461
  • 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.