Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1178257

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-1178257
  • 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: 47
  • Number of elements: 3
  • Element list: ['Fe', 'P', 'O']
  • Chemical System: Fe-O-P
  • Density: 3.206461101709572
  • Atomic Density: 0.07887110878638419
  • Unit Cell Volume: 595.9089547897136
  • Molar Volume: 7.635420438059854
  • Full Formula: Fe7 P8 O32
  • Reduced Formula: Fe7(PO4)8
  • Formula Anonymous: A7B8C32
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -363.84774533
  • Final energy per atom: -7.74144139
  • 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.