NdCl5
Alexandria ALEXAlex-ID: agm010190105 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_584_spg2
NdCl5
2024-05-09 18:08:15.908314
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010190105).
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 agm010190105
data_agm010190105
_cell_length_a 8.43024
_cell_length_b 7.28548
_cell_length_c 11.81248
_cell_angle_alpha 66.18047
_cell_angle_beta 68.51916
_cell_angle_gamma 53.49151
_cell_volume 525.58640
_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 0.06989 0.03628 0.80336 1.00000
Nd2 Nd 0.93011 0.96372 0.19664 1.00000
Cl1 Cl 0.82639 0.25370 0.63070 1.00000
Cl2 Cl 0.17361 0.74630 0.36930 1.00000
Cl3 Cl 0.16675 0.69183 0.02701 1.00000
Cl4 Cl 0.83325 0.30817 0.97299 1.00000
Cl5 Cl 0.09243 0.17161 0.22566 1.00000
Cl6 Cl 0.90757 0.82839 0.77434 1.00000
Cl7 Cl 0.74922 0.70732 0.32493 1.00000
Cl8 Cl 0.25078 0.29268 0.67507 1.00000
Cl9 Cl 0.53903 0.17118 0.30651 1.00000
Cl10 Cl 0.46097 0.82882 0.69349 1.00000
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