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NdHo4Tm

Alexandria ALEX

Alex-ID: agm099282914 · Space group: Pm (#6)

Basic Information

Formula
NdHo4Tm
Alex-ID
agm099282914
Elements
3
Sites
6
Space group
Pm (#6)
Crystal system
monoclinic
Volume
188.97
ų
Cell a
6.1733
Å
Cell b
3.5775
Å
Cell c
8.8020
Å
α angle
90.00
°
β angle
103.56
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
NdHo4Tm
Nd
1.00 · 16.7%
Ho
4.00 · 66.7%
Tm
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0044
eV/atom
Formation energy
-0.0006
eV/atom
Corrected total energy
-27.5614
eV
Raw total energy
-27.5614
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0161
eV
DOS at Fermi level
8.2017
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_678_spg10

Decomposition

HoTm2 Nd2Ho7

Computed at

2025-04-14 12:01:35

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099282914).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm099282914
data_agm099282914
_cell_length_a     6.17334
_cell_length_b     3.57752
_cell_length_c     8.80197
_cell_angle_alpha  90.00000
_cell_angle_beta   103.56318
_cell_angle_gamma  90.00000
_cell_volume       188.97264
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Nd1 Nd 0.16767 0.50000 0.08497 1.00000
  Ho1 Ho 0.94355 0.50000 0.41812 1.00000
  Ho2 Ho 0.88823 0.00000 0.74693 1.00000
  Ho3 Ho 0.38860 0.50000 0.74684 1.00000
  Ho4 Ho 0.66637 0.00000 0.08323 1.00000
  Tm1 Tm 0.44558 0.00000 0.41991 1.00000
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