Ce(Pm2Y5)2
Alexandria ALEXAlex-ID: agm005998239 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_59_spg139
Pm2Y7 PmY2 Ce
2023-08-08 21:48:19.472266
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998239).
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 agm005998239
data_agm005998239
_cell_length_a 7.99965
_cell_length_b 8.93578
_cell_length_c 8.93578
_cell_angle_alpha 78.44181
_cell_angle_beta 63.40896
_cell_angle_gamma 63.40897
_cell_volume 510.77436
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.22632 0.00025 0.54712 1.00000
Pm2 Pm 0.77343 0.45288 0.00025 1.00000
Pm3 Pm 0.22657 0.54712 0.99975 1.00000
Pm4 Pm 0.77368 0.99975 0.45288 1.00000
Y1 Y 0.25000 0.50000 0.50000 1.00000
Y2 Y 0.70715 0.20731 0.79288 1.00000
Y3 Y 0.08554 0.20712 0.20731 1.00000
Y4 Y 0.49997 0.79288 0.79269 1.00000
Y5 Y 0.70734 0.79269 0.20712 1.00000
Y6 Y 0.29285 0.79269 0.20712 1.00000
Y7 Y 0.75000 0.50000 0.50000 1.00000
Y8 Y 0.29266 0.20731 0.79288 1.00000
Y9 Y 0.50003 0.20712 0.20731 1.00000
Y10 Y 0.91446 0.79288 0.79269 1.00000
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