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EuAl4Rh

Alexandria ALEX

Alex-ID: agm002198112 · Space group: Pmma (#51)

Alexandria Database API

Basic Information

Formula
EuAl4Rh
Alex-ID
agm002198112
Elements
3
Sites
12
Space group
Pmma (#51)
Crystal system
orthorhombic
Volume
226.85
ų
Cell a
4.1374
Å
Cell b
7.0418
Å
Cell c
7.7863
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuAl4Rh
Eu
2.00 · 16.7%
Rh
2.00 · 16.7%
Al
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6255
eV/atom
Corrected total energy
-72.7217
eV
Raw total energy
-72.7217
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0105
eV
DOS at Fermi level
5.5642
Total magnetisation
13.6465
μB

Additional Information

Prototype ID

ABC4_6_spg51

Decomposition

EuAl4Rh

Computed at

2018-10-06 01:41:51

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: agm002198112).

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 agm002198112
data_agm002198112
_cell_length_a     4.13736
_cell_length_b     7.04185
_cell_length_c     7.78626
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       226.85023
_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
  Eu1 Eu 0.00000 0.62131 0.75000 1.00000
  Eu2 Eu 0.00000 0.37869 0.25000 1.00000
  Rh1 Rh 0.00000 0.19090 0.75000 1.00000
  Rh2 Rh 0.00000 0.80910 0.25000 1.00000
  Al1 Al 0.00000 0.00000 0.50000 1.00000
  Al2 Al 0.00000 0.00000 0.00000 1.00000
  Al3 Al 0.50000 0.95249 0.75000 1.00000
  Al4 Al 0.50000 0.04751 0.25000 1.00000
  Al5 Al 0.50000 0.69749 0.06457 1.00000
  Al6 Al 0.50000 0.30251 0.93543 1.00000
  Al7 Al 0.50000 0.69749 0.43543 1.00000
  Al8 Al 0.50000 0.30251 0.56457 1.00000
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