Pm2Pr2Y5
Alexandria ALEXAlex-ID: agm003313530 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_261_spg46
Pm(PrY3)2 Pm3PrY4 PmPr3Y4
2022-01-22 05:39:18.493785
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003313530).
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 agm003313530
data_agm003313530
_cell_length_a 11.96231
_cell_length_b 6.84425
_cell_length_c 10.22816
_cell_angle_alpha 109.54694
_cell_angle_beta 125.78700
_cell_angle_gamma 90.00000
_cell_volume 618.83334
_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
Pm1 Pm 0.12436 0.68631 0.25422 1.00000
Pm2 Pm 0.87564 0.43208 0.74578 1.00000
Pm3 Pm 0.62986 0.18631 0.25422 1.00000
Pm4 Pm 0.37014 0.93208 0.74578 1.00000
Pr1 Pr 0.00000 0.01040 0.00000 1.00000
Pr2 Pr 0.50000 0.51040 0.00000 1.00000
Pr3 Pr 0.25877 0.35870 0.50000 1.00000
Pr4 Pr 0.74123 0.85870 0.50000 1.00000
Y1 Y 0.20389 0.64981 0.89415 1.00000
Y2 Y 0.79611 0.75567 0.10585 1.00000
Y3 Y 0.19026 0.14981 0.89415 1.00000
Y4 Y 0.80974 0.25567 0.10585 1.00000
Y5 Y 0.37642 0.03649 0.28486 1.00000
Y6 Y 0.62358 0.75162 0.71514 1.00000
Y7 Y 0.40845 0.53649 0.28486 1.00000
Y8 Y 0.59155 0.25162 0.71514 1.00000
Y9 Y 0.00506 0.65491 0.50000 1.00000
Y10 Y 0.99494 0.15491 0.50000 1.00000
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