PmCo2H8Pd3
Alexandria ALEXAlex-ID: agm006642872 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_462_spg1
Pm(CoH3)2 PmH7Pd5 Co HPd
2024-03-16 02:46:05.519310
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006642872).
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 agm006642872
data_agm006642872
_cell_length_a 5.86683
_cell_length_b 4.96324
_cell_length_c 4.82209
_cell_angle_alpha 58.69702
_cell_angle_beta 89.27513
_cell_angle_gamma 95.79742
_cell_volume 119.00799
_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
Pm1 Pm 0.34134 0.76274 0.31070 1.00000
Co1 Co 0.57451 0.08834 0.62211 1.00000
Co2 Co 0.55704 0.47471 0.97261 1.00000
H1 H 0.83227 0.25647 0.67120 1.00000
H2 H 0.00540 0.72987 0.62873 1.00000
H3 H 0.37098 0.76928 0.81178 1.00000
H4 H 0.45297 0.26362 0.81149 1.00000
H5 H 0.38801 0.27153 0.32336 1.00000
H6 H 0.65174 0.77837 0.60603 1.00000
H7 H 0.66738 0.79601 0.98538 1.00000
H8 H 0.69747 0.19846 0.23552 1.00000
Pd1 Pd 0.01997 0.37176 0.01321 1.00000
Pd2 Pd 0.84423 0.66791 0.34704 1.00000
Pd3 Pd 0.07474 0.06362 0.67547 1.00000
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