Ce2PrCo3
Alexandria ALEXAlex-ID: agm034349307 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Ce2Co3 Pr
2025-04-13 15:15:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034349307).
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 agm034349307
data_agm034349307
_cell_length_a 6.75715
_cell_length_b 6.75715
_cell_length_c 12.32396
_cell_angle_alpha 78.68468
_cell_angle_beta 101.31532
_cell_angle_gamma 69.92660
_cell_volume 496.57348
_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 0.38743 0.92111 0.25691 1.00000
Ce2 Ce 0.45229 0.29482 0.43181 1.00000
Ce3 Ce 0.54771 0.70518 0.56819 1.00000
Ce4 Ce 0.61257 0.07889 0.74309 1.00000
Ce5 Ce 0.07889 0.61257 0.75691 1.00000
Ce6 Ce 0.70518 0.54771 0.93181 1.00000
Ce7 Ce 0.29482 0.45229 0.06819 1.00000
Ce8 Ce 0.92111 0.38743 0.24309 1.00000
Pr1 Pr 0.96877 0.78799 0.41089 1.00000
Pr2 Pr 0.03123 0.21201 0.58911 1.00000
Pr3 Pr 0.21201 0.03123 0.91089 1.00000
Pr4 Pr 0.78799 0.96877 0.08911 1.00000
Co1 Co 0.22136 0.06153 0.41667 1.00000
Co2 Co 0.66051 0.54457 0.36609 1.00000
Co3 Co 0.77864 0.93847 0.58333 1.00000
Co4 Co 0.33949 0.45543 0.63391 1.00000
Co5 Co 0.40828 0.74726 0.75848 1.00000
Co6 Co 0.74726 0.40828 0.74152 1.00000
Co7 Co 0.45543 0.33949 0.86609 1.00000
Co8 Co 0.93847 0.77864 0.91667 1.00000
Co9 Co 0.54457 0.66051 0.13391 1.00000
Co10 Co 0.06153 0.22136 0.08333 1.00000
Co11 Co 0.59172 0.25274 0.24152 1.00000
Co12 Co 0.25274 0.59172 0.25848 1.00000
