Nd4Co2Cl5
Alexandria ALEXAlex-ID: agm005684789 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_178_spg71
Nd10Co2Cl15 Nd2Co2Cl NdCl3
2023-06-21 11:38:33.525311
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684789).
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 agm005684789
data_agm005684789
_cell_length_a 4.02853
_cell_length_b 8.11598
_cell_length_c 10.19159
_cell_angle_alpha 113.46429
_cell_angle_beta 101.39907
_cell_angle_gamma 90.00000
_cell_volume 298.48506
_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 0.68830 0.68830 0.37660 1.00000
Nd2 Nd 0.00000 0.27881 0.00000 1.00000
Nd3 Nd 0.31170 0.31170 0.62340 1.00000
Nd4 Nd 1.00000 0.72119 1.00000 1.00000
Co1 Co 0.55757 0.55757 0.11514 1.00000
Co2 Co 0.44243 0.44243 0.88486 1.00000
Cl1 Cl 0.17310 0.41200 0.34620 1.00000
Cl2 Cl 0.82690 0.58800 0.65380 1.00000
Cl3 Cl 0.17310 0.93420 0.34620 1.00000
Cl4 Cl 0.50000 0.00000 0.00000 1.00000
Cl5 Cl 0.82690 0.06580 0.65380 1.00000
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