Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1220506

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-1220506
  • 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: 21
  • Number of elements: 4
  • Element list: ['Nd', 'Fe', 'Si', 'H']
  • Chemical System: Fe-H-Nd-Si
  • Density: 7.5355525846334634
  • Atomic Density: 0.08046495049902702
  • Unit Cell Volume: 260.98319665596426
  • Molar Volume: 7.484178791699896
  • Full Formula: Nd2 Fe15 Si2 H2
  • Reduced Formula: Nd2Fe15(SiH)2
  • Formula Anonymous: A2B2C2D15
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -156.10963628000002
  • Final energy per atom: -7.433792203809524
  • 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.