MgNp5U3
Alexandria ALEXAlex-ID: agm072284474 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1332_spg8
Mg Np U
2024-09-24 23:26:04.971183
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072284474).
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 agm072284474
data_agm072284474
_cell_length_a 6.29237
_cell_length_b 6.06953
_cell_length_c 7.30545
_cell_angle_alpha 115.70703
_cell_angle_beta 102.49222
_cell_angle_gamma 120.60727
_cell_volume 178.71239
_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
Mg1 Mg 0.49709 0.46619 0.03261 1.00000
Np1 Np 0.24506 0.32149 0.35644 1.00000
Np2 Np 0.63031 0.84858 0.79027 1.00000
Np3 Np 0.96423 0.67356 0.54808 1.00000
Np4 Np 0.98556 0.79962 0.92781 1.00000
Np5 Np 0.66143 0.18708 0.67942 1.00000
U1 U 0.14368 0.65250 0.27583 1.00000
U2 U 0.52400 0.03878 0.12234 1.00000
U3 U 0.98396 0.11539 0.55062 1.00000
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