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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222049

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-1222049
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Mg', 'Ti', 'Zn', 'Ni', 'O']
  • Chemical System: Mg-Ni-O-Ti-Zn
  • Density: 4.570074052281339
  • Atomic Density: 0.09468385275779997
  • Unit Cell Volume: 316.84388759231837
  • Molar Volume: 6.360261633421863
  • Full Formula: Mg2 Ti6 Zn2 Ni2 O18
  • Reduced Formula: MgTi3ZnNiO9
  • Formula Anonymous: ABCD3E9
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -241.32980852
  • Final energy per atom: -8.044326950666667
  • 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.