Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1368842

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-1368842
  • 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: 24
  • Number of elements: 4
  • Element list: ['Mn', 'Nb', 'Zn', 'O']
  • Chemical System: Mn-Nb-O-Zn
  • Density: 4.978274083816302
  • Atomic Density: 0.08286404700541147
  • Unit Cell Volume: 289.6310386389005
  • Molar Volume: 7.267495346451907
  • Full Formula: Mn2 Nb4 Zn2 O16
  • Reduced Formula: MnNb2ZnO8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -199.16746129
  • Final energy per atom: -8.298644220416667
  • 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.