Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1225171

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-1225171
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['Mn', 'Al', 'Fe', 'P', 'O']
  • Chemical System: Al-Fe-Mn-O-P
  • Density: 3.1748838381576245
  • Atomic Density: 0.0849037394343768
  • Unit Cell Volume: 1413.365309931367
  • Molar Volume: 7.092904034756431
  • Full Formula: Mn8 Al12 Fe4 P12 O84
  • Reduced Formula: Mn2Al3Fe(PO7)3
  • Formula Anonymous: AB2C3D3E21
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -869.86471164
  • Final energy per atom: -7.248872597
  • 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.