Pr3TmCd2
Alexandria ALEXAlex-ID: agm003422331 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_856_spg65
Tm2Cd Pr PrCd
2022-02-22 21:16:05.883200
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003422331).
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 agm003422331
data_agm003422331
_cell_length_a 5.02415
_cell_length_b 9.55355
_cell_length_c 9.24709
_cell_angle_alpha 121.10280
_cell_angle_beta 105.80112
_cell_angle_gamma 89.99987
_cell_volume 360.31008
_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
Pr1 Pr 0.50000 0.25000 1.00000 1.00000
Pr2 Pr 0.50000 0.75000 0.00000 1.00000
Pr3 Pr 0.82814 0.07824 0.65649 1.00000
Pr4 Pr 0.17186 0.42175 0.34350 1.00000
Pr5 Pr 0.17186 0.92176 0.34351 1.00000
Pr6 Pr 0.82814 0.57825 0.65650 1.00000
Tm1 Tm 0.00000 0.50000 0.00000 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.33767 0.33775 0.67545 1.00000
Cd2 Cd 0.66230 0.16230 0.32454 1.00000
Cd3 Cd 0.33770 0.83770 0.67546 1.00000
Cd4 Cd 0.66233 0.66225 0.32455 1.00000
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