Ca4LaRh2
Alexandria ALEXAlex-ID: agm096560190 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_171_spg82
Ca2LaRh Ca3Rh LaRh
2025-04-10 15:53:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096560190).
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
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# CIF generated by HEAS from Alexandria entry agm096560190
data_agm096560190
_cell_length_a 4.39570
_cell_length_b 4.39953
_cell_length_c 10.71016
_cell_angle_alpha 78.20208
_cell_angle_beta 78.17181
_cell_angle_gamma 89.98826
_cell_volume 198.25547
_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 0.07597 0.36187 0.77736 1.00000
Ca2 Ca 0.31722 0.10299 0.29368 1.00000
Ca3 Ca 0.67880 0.96425 0.57140 1.00000
Ca4 Ca 0.81711 0.60275 0.29400 1.00000
La1 La 0.46240 0.74849 0.00455 1.00000
Rh1 Rh 0.92654 0.21153 0.07476 1.00000
Rh2 Rh 0.22196 0.50812 0.48425 1.00000
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