Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233186

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-1233186
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Mg', 'Mn', 'Nb', 'O']
  • Chemical System: Mg-Mn-Nb-O
  • Density: 4.6828647268577495
  • Atomic Density: 0.08068934615446637
  • Unit Cell Volume: 359.40308581115914
  • Molar Volume: 7.46336542183848
  • Full Formula: Mg1 Mn6 Nb4 O18
  • Reduced Formula: MgMn6Nb4O18
  • Formula Anonymous: AB4C6D18
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -259.90818849
  • Final energy per atom: -8.962351327241379
  • 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.