Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222033

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-1222033
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Mn', 'Zn', 'Ni', 'O']
  • Chemical System: Mn-Ni-O-Zn
  • Density: 5.296619666082868
  • Atomic Density: 0.09234558007825051
  • Unit Cell Volume: 454.8133214866442
  • Molar Volume: 6.5213091464659625
  • Full Formula: Mn8 Zn6 Ni4 O24
  • Reduced Formula: Mn4Zn3(NiO6)2
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -297.97531045
  • Final energy per atom: -7.094650248809524
  • 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.