Ac3(PmNd)4
Alexandria ALEXAlex-ID: agm005698012 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
Pm2Nd Ac Nd
2023-06-29 21:32:28.097302
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698012).
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 agm005698012
data_agm005698012
_cell_length_a 3.72053
_cell_length_b 5.91365
_cell_length_c 19.03959
_cell_angle_alpha 81.07458
_cell_angle_beta 84.37437
_cell_angle_gamma 89.98876
_cell_volume 411.79351
_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
Ac1 Ac 0.13844 0.63778 0.72458 1.00000
Ac2 Ac 0.86158 0.36225 0.27542 1.00000
Ac3 Ac 0.00001 0.00001 1.00000 1.00000
Pm1 Pm 0.59207 0.09254 0.81638 1.00000
Pm2 Pm 0.26502 0.26479 0.47006 1.00000
Pm3 Pm 0.73501 0.73524 0.52994 1.00000
Pm4 Pm 0.40795 0.90749 0.18362 1.00000
Nd1 Nd 0.54671 0.54700 0.90792 1.00000
Nd2 Nd 0.45331 0.45303 0.09208 1.00000
Nd3 Nd 0.31762 0.81759 0.36432 1.00000
Nd4 Nd 0.68241 0.18244 0.63568 1.00000
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