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  1. Third-Parties
  2. MatprojStructure
  3. mp-1029652

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-1029652
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Y', 'Si', 'N']
  • Chemical System: N-Si-Y
  • Density: 4.024942800521057
  • Atomic Density: 0.0822623359803117
  • Unit Cell Volume: 486.2492600450031
  • Molar Volume: 7.320653721092132
  • Full Formula: Y6 Si12 N22
  • Reduced Formula: Y3Si6N11
  • Formula Anonymous: A3B6C11
  • Spacegroup Number: 100
  • Spacegroup Symbol: P4bm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -347.71084637
  • Final energy per atom: -8.69277115925
  • 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.