CeNdPt
Alexandria ALEXAlex-ID: agm005667937 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7935_spg46
Nd5Pt3 Ce CePt
2023-06-17 05:41:50.429747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667937).
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 agm005667937
data_agm005667937
_cell_length_a 7.51465
_cell_length_b 8.96650
_cell_length_c 8.96650
_cell_angle_alpha 63.58725
_cell_angle_beta 65.22597
_cell_angle_gamma 65.22599
_cell_volume 470.76476
_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
Ce1 Ce 0.99920 1.00000 0.00000 1.00000
Ce2 Ce 0.99921 0.50000 0.50000 1.00000
Ce3 Ce 0.76107 0.38831 0.34886 1.00000
Ce4 Ce 0.49824 0.61169 0.65114 1.00000
Ce5 Ce 0.49824 0.15114 0.11169 1.00000
Ce6 Ce 0.76107 0.84886 0.88831 1.00000
Nd1 Nd 0.18655 0.03443 0.53443 1.00000
Nd2 Nd 0.75541 0.96557 0.46557 1.00000
Nd3 Nd 0.33495 0.75606 0.25606 1.00000
Nd4 Nd 0.34707 0.24394 0.74394 1.00000
Nd5 Nd 0.75914 0.44831 0.94831 1.00000
Nd6 Nd 0.15576 0.55169 0.05169 1.00000
Pt1 Pt 0.77405 0.21832 0.71832 1.00000
Pt2 Pt 0.71069 0.78168 0.28168 1.00000
Pt3 Pt 0.09170 0.15731 0.16876 1.00000
Pt4 Pt 0.41777 0.84269 0.83124 1.00000
Pt5 Pt 0.41777 0.33124 0.34269 1.00000
Pt6 Pt 0.09170 0.66876 0.65731 1.00000
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