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  1. Third-Parties
  2. MatprojStructure
  3. mp-674456

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-674456
  • 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: 19
  • Number of elements: 3
  • Element list: ['Zr', 'H', 'N']
  • Chemical System: H-N-Zr
  • Density: 6.901798377502289
  • Atomic Density: 0.07702206567207692
  • Unit Cell Volume: 246.68255563143296
  • Molar Volume: 7.8187214371001055
  • Full Formula: Zr10 H1 N8
  • Reduced Formula: Zr10HN8
  • Formula Anonymous: AB8C10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -186.45559137
  • Final energy per atom: -9.813452177368422
  • 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.