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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246225

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-1246225
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ni', 'Te', 'N']
  • Chemical System: N-Ni-Te
  • Density: 6.964362499989247
  • Atomic Density: 0.05846823768722883
  • Unit Cell Volume: 307.8594586053639
  • Molar Volume: 10.299849966771639
  • Full Formula: Ni8 Te6 N4
  • Reduced Formula: Ni4Te3N2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -98.4918078
  • Final energy per atom: -5.4717671
  • 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.