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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180641

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-1180641
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Nd', 'Si', 'C', 'N']
  • Chemical System: C-N-Nd-Si
  • Density: 2.1276582670874937
  • Atomic Density: 0.06283465985627233
  • Unit Cell Volume: 891.2278689515325
  • Molar Volume: 9.584106564394576
  • Full Formula: Nd2 Si12 C36 N6
  • Reduced Formula: NdSi6(C6N)3
  • Formula Anonymous: AB3C6D18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -433.57423354
  • Final energy per atom: -7.7423970275
  • 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.