Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-764875

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-764875
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 156
  • Number of elements: 3
  • Element list: ['Fe', 'P', 'O']
  • Chemical System: Fe-O-P
  • Density: 3.8107236547787644
  • Atomic Density: 0.08345507014252708
  • Unit Cell Volume: 1869.2692934483011
  • Molar Volume: 7.216027438135523
  • Full Formula: Fe36 P24 O96
  • Reduced Formula: Fe3(PO4)2
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1260.47948932
  • Final energy per atom: -8.079996726410258
  • 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.