CaLa2(URu2)3
Alexandria ALEXAlex-ID: agm046251616 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Ca2URu3 U4Ru3 La2URu3 URu2
2024-12-16 07:23:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046251616).
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 agm046251616
data_agm046251616
_cell_length_a 7.62621
_cell_length_b 7.62621
_cell_length_c 6.03195
_cell_angle_alpha 77.79710
_cell_angle_beta 102.20290
_cell_angle_gamma 60.08485
_cell_volume 275.64117
_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 0.00000 0.00000 0.00000 1.00000
La1 La 0.33362 0.33362 0.00000 1.00000
La2 La 0.66638 0.66638 0.00000 1.00000
U1 U 0.16623 0.16623 0.50000 1.00000
U2 U 0.83377 0.83377 0.50000 1.00000
U3 U 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.46414 0.87139 0.38480 1.00000
Ru2 Ru 0.20308 0.79692 0.60392 1.00000
Ru3 Ru 0.53586 0.12861 0.61520 1.00000
Ru4 Ru 0.12861 0.53586 0.38480 1.00000
Ru5 Ru 0.79692 0.20308 0.39608 1.00000
Ru6 Ru 0.87139 0.46414 0.61520 1.00000
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