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Nd8HoRh4

Alexandria ALEX

Alex-ID: agm097842852 · Space group: Pm (#6)

Basic Information

Formula
Nd8HoRh4
Alex-ID
agm097842852
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
362.84
ų
Cell a
3.8713
Å
Cell b
10.6952
Å
Cell c
10.1117
Å
α angle
60.07
°
β angle
90.00
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Nd8HoRh4
Nd
8.00 · 61.5%
Ho
1.00 · 7.7%
Rh
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0542
eV/atom
Formation energy
-0.4755
eV/atom
Corrected total energy
-78.3454
eV
Raw total energy
-78.3454
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.6386
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1607_spg8

Decomposition

Nd5Rh2 Ho5Rh3 Nd7Rh3

Computed at

2025-06-18 07:10:43

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: agm097842852).

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 agm097842852
data_agm097842852
_cell_length_a     3.87133
_cell_length_b     10.69519
_cell_length_c     10.11173
_cell_angle_alpha  60.07081
_cell_angle_beta   89.99914
_cell_angle_gamma  90.00938
_cell_volume       362.83938
_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 0.23069 0.09058 0.30185 1.00000
  Nd2 Nd 0.73084 0.69371 0.99930 1.00000
  Nd3 Nd 0.23073 0.70484 0.66385 1.00000
  Nd4 Nd 0.23068 0.29035 0.70153 1.00000
  Nd5 Nd 0.23074 0.68158 0.33000 1.00000
  Nd6 Nd 0.73042 0.37148 0.35576 1.00000
  Nd7 Nd 0.73050 0.38057 0.95416 1.00000
  Nd8 Nd 0.73095 0.01266 0.64882 1.00000
  Ho1 Ho 0.73100 0.99923 0.04936 1.00000
  Rh1 Rh 0.23113 0.93521 0.89395 1.00000
  Rh2 Rh 0.23068 0.45277 0.11411 1.00000
  Rh3 Rh 0.73083 0.52574 0.59778 1.00000
  Rh4 Rh 0.73081 0.86128 0.38952 1.00000
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