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  1. Third-Parties
  2. MatprojStructure
  3. mp-650224

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-650224
  • 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: 86
  • Number of elements: 3
  • Element list: ['Fe', 'P', 'O']
  • Chemical System: Fe-O-P
  • Density: 3.567280255972271
  • Atomic Density: 0.08500639497897798
  • Unit Cell Volume: 1011.6885914438288
  • Molar Volume: 7.084338491814964
  • Full Formula: Fe14 P16 O56
  • Reduced Formula: Fe7(P2O7)4
  • Formula Anonymous: A7B8C28
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -687.3199716800001
  • Final energy per atom: -7.99209269395349
  • 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.