Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1220835

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-1220835
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Nd', 'Dy', 'Fe', 'C']
  • Chemical System: C-Dy-Fe-Nd
  • Density: 8.08299234814996
  • Atomic Density: 0.07518813451179293
  • Unit Cell Volume: 904.3980202665421
  • Molar Volume: 8.0094296781036
  • Full Formula: Nd4 Dy4 Fe56 C4
  • Reduced Formula: NdDyFe14C
  • Formula Anonymous: ABCD14
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -551.14222679
  • Final energy per atom: -8.105032746911764
  • 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.