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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193346

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-1193346
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Zr', 'Co', 'N']
  • Chemical System: Co-N-Zr
  • Density: 7.270216103381192
  • Atomic Density: 0.06169382503592831
  • Unit Cell Volume: 453.854173958152
  • Molar Volume: 9.761334714605422
  • Full Formula: Zr16 Co8 N4
  • Reduced Formula: Zr4Co2N
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -248.29951476
  • Final energy per atom: -8.867839812857143
  • 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.