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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046861

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-1046861
  • 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: 26
  • Number of elements: 4
  • Element list: ['Nb', 'Zn', 'Co', 'O']
  • Chemical System: Co-Nb-O-Zn
  • Density: 5.476944435654599
  • Atomic Density: 0.08514949835216805
  • Unit Cell Volume: 305.3453103442505
  • Molar Volume: 7.072432458842156
  • Full Formula: Nb4 Zn4 Co2 O16
  • Reduced Formula: Nb2Zn2CoO8
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -200.6216186
  • Final energy per atom: -7.7162161000000005
  • 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.