Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1236059

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-1236059
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-Mn-O-P
  • Density: 3.409637859437847
  • Atomic Density: 0.08437529166924006
  • Unit Cell Volume: 296.2952720566894
  • Molar Volume: 7.137327339391512
  • Full Formula: Li1 Mn2 Fe2 P4 O16
  • Reduced Formula: LiMn2Fe2(PO4)4
  • Formula Anonymous: AB2C2D4E16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -198.01548753
  • Final energy per atom: -7.9206195012
  • 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.