Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222066

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-1222066
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['Mg', 'Ti', 'Mn', 'Zn', 'Ni', 'O']
  • Chemical System: Mg-Mn-Ni-O-Ti-Zn
  • Density: 4.539727603380908
  • Atomic Density: 0.09317855384809345
  • Unit Cell Volume: 429.28333128254974
  • Molar Volume: 6.4630116172630645
  • Full Formula: Mg2 Ti8 Mn2 Zn2 Ni2 O24
  • Reduced Formula: MgTi4MnZnNiO12
  • Formula Anonymous: ABCDE4F12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -334.57951146
  • Final energy per atom: -8.3644877865
  • 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.