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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215374

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-1215374
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Zr', 'Sc', 'N']
  • Chemical System: N-Sc-Zr
  • Density: 5.157747783889137
  • Atomic Density: 0.08087139391019686
  • Unit Cell Volume: 234.94092387103444
  • Molar Volume: 7.446564809662176
  • Full Formula: Zr4 Sc5 N10
  • Reduced Formula: Zr4Sc5N10
  • Formula Anonymous: A4B5C10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -185.43628127
  • Final energy per atom: -9.75980427736842
  • 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.