Nd2Ho2Pu3
Alexandria ALEXAlex-ID: agm008714735 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_203_spg71
Nd NdHo2 Pu
2024-07-11 05:19:03.571841
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008714735).
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 agm008714735
data_agm008714735
_cell_length_a 3.49428
_cell_length_b 5.19776
_cell_length_c 12.00578
_cell_angle_alpha 102.51500
_cell_angle_beta 90.07979
_cell_angle_gamma 89.98632
_cell_volume 212.87250
_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
Nd1 Nd 0.50042 0.57501 0.15004 1.00000
Nd2 Nd 0.49958 0.42499 0.84996 1.00000
Ho1 Ho 0.99972 0.15281 0.30612 1.00000
Ho2 Ho 0.00028 0.84719 0.69388 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.49961 0.71729 0.43473 1.00000
Pu3 Pu 0.50039 0.28271 0.56527 1.00000
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