Ca(La2Rh)4
Alexandria ALEXAlex-ID: agm006052182 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1_spg8
La5Rh3 Ca2LaRh La7Rh3
2023-08-30 11:47:24.985290
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006052182).
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
@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…
# CIF generated by HEAS from Alexandria entry agm006052182
data_agm006052182
_cell_length_a 4.22361
_cell_length_b 10.38001
_cell_length_c 10.61088
_cell_angle_alpha 81.85366
_cell_angle_beta 78.52021
_cell_angle_gamma 78.26129
_cell_volume 443.86170
_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
Ca1 Ca 0.51581 0.00169 0.96670 1.00000
La1 La 0.14857 0.32534 0.37753 1.00000
La2 La 0.55712 0.65893 0.22682 1.00000
La3 La 0.47427 0.34455 0.70691 1.00000
La4 La 0.88289 0.67805 0.55618 1.00000
La5 La 0.85001 0.99418 0.30580 1.00000
La6 La 0.22338 0.65882 0.89441 1.00000
La7 La 0.18145 0.00921 0.62789 1.00000
La8 La 0.80799 0.34459 0.03944 1.00000
Rh1 Rh 0.37036 0.83235 0.42693 1.00000
Rh2 Rh 0.85173 0.50420 0.79235 1.00000
Rh3 Rh 0.17965 0.49917 0.14153 1.00000
Rh4 Rh 0.66107 0.17099 0.50687 1.00000
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