Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1199236

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-1199236
  • 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: 56
  • Number of elements: 4
  • Element list: ['Zn', 'Fe', 'Ni', 'O']
  • Chemical System: Fe-Ni-O-Zn
  • Density: 5.308285143066208
  • Atomic Density: 0.0944581242446045
  • Unit Cell Volume: 592.8553043778948
  • Molar Volume: 6.375460880850583
  • Full Formula: Zn3 Fe16 Ni5 O32
  • Reduced Formula: Zn3Fe16Ni5O32
  • Formula Anonymous: A3B5C16D32
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -414.02134858
  • Final energy per atom: -7.3932383674999995
  • 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.