Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1210822

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-1210822
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 5
  • Element list: ['Mg', 'Al', 'Fe', 'P', 'O']
  • Chemical System: Al-Fe-Mg-O-P
  • Density: 2.937523002248421
  • Atomic Density: 0.08596265876318665
  • Unit Cell Volume: 407.1535304232433
  • Molar Volume: 7.005531060399182
  • Full Formula: Mg2 Al4 Fe1 P4 O24
  • Reduced Formula: Mg2Al4Fe(PO6)4
  • Formula Anonymous: AB2C4D4E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -250.43570107
  • Final energy per atom: -7.155305744857142
  • 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.