Pm3Pr2Lu7
Alexandria ALEXAlex-ID: agm101950490 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_327_spg12
Pm2Pr Pr Lu
2025-05-19 01:45:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101950490).
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 agm101950490
data_agm101950490
_cell_length_a 6.16759
_cell_length_b 6.16828
_cell_length_c 11.96021
_cell_angle_alpha 75.05744
_cell_angle_beta 75.04821
_cell_angle_gamma 60.00116
_cell_volume 376.16990
_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 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.83339 0.83274 0.50034 1.00000
Pm3 Pm 0.16661 0.16726 0.49966 1.00000
Pr1 Pr 0.66706 0.66707 0.99906 1.00000
Pr2 Pr 0.33294 0.33293 0.00094 1.00000
Lu1 Lu 0.50000 0.50000 0.50000 1.00000
Lu2 Lu 0.24958 0.58394 0.25208 1.00000
Lu3 Lu 0.91366 0.25006 0.25221 1.00000
Lu4 Lu 0.58350 0.91407 0.25210 1.00000
Lu5 Lu 0.75042 0.41606 0.74792 1.00000
Lu6 Lu 0.41650 0.08593 0.74790 1.00000
Lu7 Lu 0.08634 0.74994 0.74779 1.00000
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