BaCe2(NdPu)2
Alexandria ALEXAlex-ID: agm011662552 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_14_spg12
Ba Ce6Pu Nd Pu
2024-06-28 19:51:33.113919
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011662552).
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 agm011662552
data_agm011662552
_cell_length_a 3.65104
_cell_length_b 6.50217
_cell_length_c 9.83464
_cell_angle_alpha 93.15590
_cell_angle_beta 92.01383
_cell_angle_gamma 78.24481
_cell_volume 228.15936
_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
Ba1 Ba 0.00000 0.50000 0.50000 1.00000
Ce1 Ce 0.35909 0.53817 0.16023 1.00000
Ce2 Ce 0.64091 0.46183 0.83977 1.00000
Nd1 Nd 0.29791 0.98903 0.70109 1.00000
Nd2 Nd 0.70209 0.01097 0.29891 1.00000
Pu1 Pu 0.09735 0.21432 0.01846 1.00000
Pu2 Pu 0.90265 0.78568 0.98154 1.00000
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