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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246151

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-1246151
  • 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: 36
  • Number of elements: 3
  • Element list: ['Zr', 'Te', 'N']
  • Chemical System: N-Te-Zr
  • Density: 6.641344326318067
  • Atomic Density: 0.04640345900704904
  • Unit Cell Volume: 775.8042346483551
  • Molar Volume: 12.9777841757124
  • Full Formula: Zr16 Te12 N8
  • Reduced Formula: Zr4Te3N2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -285.99308647
  • Final energy per atom: -7.944252401944444
  • 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.