PmPrAl4
Alexandria ALEXAlex-ID: agm069968366 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1305_spg12
PmAl2 PrAl2
2025-04-14 23:21:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069968366).
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
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# CIF generated by HEAS from Alexandria entry agm069968366
data_agm069968366
_cell_length_a 4.33525
_cell_length_b 4.33525
_cell_length_c 8.31000
_cell_angle_alpha 74.90554
_cell_angle_beta 105.09446
_cell_angle_gamma 90.00109
_cell_volume 145.20491
_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 0.25039 0.25039 0.00000 1.00000
Pr1 Pr 0.00006 0.00006 0.50000 1.00000
Al1 Al 0.83230 0.66900 0.16424 1.00000
Al2 Al 0.41719 0.58248 0.33416 1.00000
Al3 Al 0.66900 0.83230 0.83576 1.00000
Al4 Al 0.58248 0.41719 0.66584 1.00000
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