Pm3Y5Ni
Alexandria ALEXAlex-ID: agm072364288 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1352_spg35
Pm5Y PmY2 Y3Ni
2024-09-24 20:06:16.884163
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072364288).
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 agm072364288
data_agm072364288
_cell_length_a 5.96601
_cell_length_b 6.97262
_cell_length_c 6.86196
_cell_angle_alpha 92.75191
_cell_angle_beta 82.85285
_cell_angle_gamma 85.47606
_cell_volume 281.86548
_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 0.44745 0.43042 0.45873 1.00000
Pm2 Pm 0.46295 0.54097 0.96486 1.00000
Pm3 Pm 0.47346 0.92182 0.60158 1.00000
Y1 Y 0.55251 0.04529 0.09108 1.00000
Y2 Y 0.03268 0.82620 0.28877 1.00000
Y3 Y 0.93221 0.20455 0.67773 1.00000
Y4 Y 0.99271 0.32951 0.17910 1.00000
Y5 Y 0.96800 0.69821 0.78976 1.00000
Ni1 Ni 0.13832 0.00260 0.94741 1.00000
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