Ca2La3Rh2
Alexandria ALEXAlex-ID: agm025693274 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_157_spg12
La5Rh3 Ca2LaRh La7Rh3
2025-04-30 10:13:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025693274).
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 agm025693274
data_agm025693274
_cell_length_a 6.72165
_cell_length_b 6.72165
_cell_length_c 10.03312
_cell_angle_alpha 66.81522
_cell_angle_beta 113.18478
_cell_angle_gamma 146.29162
_cell_volume 229.29584
_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 0.90734 0.09266 0.11206 1.00000
Ca2 Ca 0.09266 0.90734 0.88794 1.00000
La1 La 0.00000 0.00000 0.50000 1.00000
La2 La 0.22666 0.77334 0.32261 1.00000
La3 La 0.77334 0.22666 0.67739 1.00000
Rh1 Rh 0.41871 0.58129 0.64927 1.00000
Rh2 Rh 0.58129 0.41871 0.35073 1.00000
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