Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-775945

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-775945
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-Mn-O-P
  • Density: 3.4004611165789447
  • Atomic Density: 0.09112704937693618
  • Unit Cell Volume: 614.52664585202
  • Molar Volume: 6.608510646592027
  • Full Formula: Li8 Mn4 Fe4 P8 O32
  • Reduced Formula: Li2MnFe(PO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -430.49151531
  • Final energy per atom: -7.687348487678571
  • 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.