NdCo3P2
Alexandria ALEXAlex-ID: agm034564488 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4883_spg12
NdCo3P2
2025-04-15 07:53:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034564488).
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 agm034564488
data_agm034564488
_cell_length_a 7.77843
_cell_length_b 7.77843
_cell_length_c 9.21914
_cell_angle_alpha 74.09819
_cell_angle_beta 105.90181
_cell_angle_gamma 152.42679
_cell_volume 247.70529
_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 0.84541 0.15459 0.79951 1.00000
Nd2 Nd 0.15459 0.84541 0.20049 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.94947 0.05053 0.15966 1.00000
Co2 Co 0.05053 0.94947 0.84034 1.00000
Co3 Co 0.78194 0.21806 0.10432 1.00000
Co4 Co 0.21806 0.78194 0.89568 1.00000
Co5 Co 0.37054 0.62946 0.28598 1.00000
Co6 Co 0.62946 0.37054 0.71402 1.00000
Co7 Co 0.50000 0.50000 0.00000 1.00000
Co8 Co 0.67934 0.32066 0.47048 1.00000
Co9 Co 0.32066 0.67934 0.52952 1.00000
P1 P 0.80137 0.19863 0.36896 1.00000
P2 P 0.19863 0.80137 0.63104 1.00000
P3 P 0.52683 0.47317 0.26937 1.00000
P4 P 0.47317 0.52683 0.73063 1.00000
P5 P 0.64155 0.35845 0.95325 1.00000
P6 P 0.35845 0.64155 0.04675 1.00000
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