Zr3(PaCo2)2
Alexandria ALEXAlex-ID: agm005659635 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_339_spg12
Zr2PaCo3 Zr2PaCo2 PaCo
2023-06-26 22:18:49.685349
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659635).
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 agm005659635
data_agm005659635
_cell_length_a 3.72178
_cell_length_b 5.45435
_cell_length_c 8.62792
_cell_angle_alpha 97.18965
_cell_angle_beta 90.00000
_cell_angle_gamma 109.94848
_cell_volume 163.17108
_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
Zr1 Zr 0.36857 0.73714 0.60494 1.00000
Zr2 Zr 0.00000 0.00000 0.00000 1.00000
Zr3 Zr 0.63143 0.26286 0.39506 1.00000
Pa1 Pa 0.32410 0.64821 0.22348 1.00000
Pa2 Pa 0.67590 0.35179 0.77652 1.00000
Co1 Co 0.69196 0.38391 0.07428 1.00000
Co2 Co 0.06308 0.12617 0.63266 1.00000
Co3 Co 0.93692 0.87383 0.36734 1.00000
Co4 Co 0.30804 0.61609 0.92572 1.00000
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