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  1. Third-Parties
  2. MatprojStructure
  3. mp-1426023

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-1426023
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Mn', 'Nb', 'Zn', 'O']
  • Chemical System: Mn-Nb-O-Zn
  • Density: 5.299552878065039
  • Atomic Density: 0.08391210944634707
  • Unit Cell Volume: 357.5169328710754
  • Molar Volume: 7.176724312776957
  • Full Formula: Mn4 Nb4 Zn4 O18
  • Reduced Formula: Mn2Nb2Zn2O9
  • Formula Anonymous: A2B2C2D9
  • Spacegroup Number: 158
  • Spacegroup Symbol: P3c1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -226.59018093
  • Final energy per atom: -7.553006031
  • 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.