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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247129

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-1247129
  • 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: 40
  • Number of elements: 3
  • Element list: ['Zr', 'Si', 'N']
  • Chemical System: N-Si-Zr
  • Density: 4.192735881784525
  • Atomic Density: 0.08469225072383758
  • Unit Cell Volume: 472.2982286824685
  • Molar Volume: 7.110616034561237
  • Full Formula: Zr6 Si12 N22
  • Reduced Formula: Zr3Si6N11
  • Formula Anonymous: A3B6C11
  • Spacegroup Number: 100
  • Spacegroup Symbol: P4bm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -346.9964631099999
  • Final energy per atom: -8.674911577749999
  • 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.