Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-780178

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-780178
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'Mn', 'P', 'O']
  • Chemical System: Li-Mn-O-P-Ti
  • Density: 2.719928148679525
  • Atomic Density: 0.08209075915423203
  • Unit Cell Volume: 511.62884145206215
  • Molar Volume: 7.335954524047716
  • Full Formula: Li8 Ti1 Mn3 P6 O24
  • Reduced Formula: Li8TiMn3(PO4)6
  • Formula Anonymous: AB3C6D8E24
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -314.16691066000004
  • Final energy per atom: -7.480164539523811
  • 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.