Nd7Pu2Hf
Alexandria ALEXAlex-ID: agm012269433 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1778_spg12
Nd Pu Hf
2024-06-24 11:41:02.729984
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012269433).
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 agm012269433
data_agm012269433
_cell_length_a 6.19830
_cell_length_b 6.19830
_cell_length_c 15.35722
_cell_angle_alpha 79.50859
_cell_angle_beta 79.50859
_cell_angle_gamma 33.33410
_cell_volume 318.31029
_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 0.20467 0.20467 0.60555 1.00000
Nd2 Nd 0.79533 0.79533 0.39445 1.00000
Nd3 Nd 0.38900 0.38900 0.17881 1.00000
Nd4 Nd 0.61100 0.61100 0.82119 1.00000
Nd5 Nd 0.09293 0.09293 0.28433 1.00000
Nd6 Nd 0.90707 0.90707 0.71567 1.00000
Nd7 Nd 0.50000 0.50000 0.50000 1.00000
Pu1 Pu 0.31509 0.31509 0.91851 1.00000
Pu2 Pu 0.68491 0.68491 0.08149 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
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