Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1177336

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-1177336
  • 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: 40
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Ni', 'P', 'O']
  • Chemical System: Li-Mn-Ni-O-P
  • Density: 3.510864715815811
  • Atomic Density: 0.08939950830856093
  • Unit Cell Volume: 447.42975388567754
  • Molar Volume: 6.736212395279268
  • Full Formula: Li4 Mn1 Ni5 P6 O24
  • Reduced Formula: Li4MnNi5(PO4)6
  • Formula Anonymous: AB4C5D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -286.87963072
  • Final energy per atom: -7.171990768000001
  • 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.