Ce2Zr2Np5
Alexandria ALEXAlex-ID: agm010055012 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_498_spg12
Ce Zr Np
2024-04-21 08:10:50.050342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010055012).
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 agm010055012
data_agm010055012
_cell_length_a 3.42813
_cell_length_b 5.14755
_cell_length_c 11.19611
_cell_angle_alpha 86.49774
_cell_angle_beta 92.59648
_cell_angle_gamma 88.05433
_cell_volume 196.86629
_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 0.02689 0.43230 0.66383 1.00000
Ce2 Ce 0.97311 0.56770 0.33617 1.00000
Zr1 Zr 0.63128 0.91035 0.78130 1.00000
Zr2 Zr 0.36872 0.08965 0.21870 1.00000
Np1 Np 0.76535 0.57869 0.06663 1.00000
Np2 Np 0.23465 0.42131 0.93337 1.00000
Np3 Np 0.25343 0.83720 0.51439 1.00000
Np4 Np 0.74657 0.16280 0.48561 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
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