Cr2PdW
Alexandria ALEXAlex-ID: agm002819862 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Pd8W Cr W
2017-01-17 05:35:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002819862).
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
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# CIF generated by HEAS from Alexandria entry agm002819862
data_agm002819862
_cell_length_a 6.78825
_cell_length_b 6.78825
_cell_length_c 5.50690
_cell_angle_alpha 51.95058
_cell_angle_beta 51.95058
_cell_angle_gamma 90.00000
_cell_volume 124.38052
_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
Cr1 Cr 0.63188 0.12500 0.25000 1.00000
Cr2 Cr 0.11812 0.62500 0.25000 1.00000
Cr3 Cr 0.37500 0.36812 0.75000 1.00000
Cr4 Cr 0.87500 0.88188 0.75000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Pd2 Pd 0.25000 0.75000 0.50000 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
W2 W 0.75000 0.25000 0.50000 1.00000
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