Pa2Co2Ni3
Alexandria ALEXAlex-ID: agm010043333 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1653_spg12
Pa2(CoNi)3 PaCo Pa2Ni7
2024-03-24 18:40:03.925790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010043333).
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 agm010043333
data_agm010043333
_cell_length_a 4.68898
_cell_length_b 4.68898
_cell_length_c 6.44847
_cell_angle_alpha 80.52419
_cell_angle_beta 80.52419
_cell_angle_gamma 49.42282
_cell_volume 105.90267
_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
Pa1 Pa 0.62229 0.62229 0.19642 1.00000
Pa2 Pa 0.37771 0.37771 0.80358 1.00000
Co1 Co 0.10437 0.10437 0.84296 1.00000
Co2 Co 0.89563 0.89563 0.15704 1.00000
Ni1 Ni 0.31356 0.31356 0.39784 1.00000
Ni2 Ni 0.00000 0.00000 0.50000 1.00000
Ni3 Ni 0.68644 0.68644 0.60216 1.00000
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