NbCo2H7Pd2
Alexandria ALEXAlex-ID: agm006701889 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_181_spg44
NbCoH3 H4Pd CoH HPd
2025-05-27 05:51:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006701889).
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 agm006701889
data_agm006701889
_cell_length_a 9.06005
_cell_length_b 9.06005
_cell_length_c 9.06005
_cell_angle_alpha 160.55885
_cell_angle_beta 158.18234
_cell_angle_gamma 29.38350
_cell_volume 91.94496
_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
Nb1 Nb 0.97840 0.00000 0.97840 1.00000
Co1 Co 0.76340 0.78299 0.98041 1.00000
Co2 Co 0.19742 0.21701 0.98041 1.00000
H1 H 0.91819 0.41569 0.50250 1.00000
H2 H 0.71585 0.23618 0.47968 1.00000
H3 H 0.56109 0.06584 0.49525 1.00000
H4 H 0.08681 0.58431 0.50250 1.00000
H5 H 0.24350 0.76382 0.47968 1.00000
H6 H 0.42941 0.93416 0.49525 1.00000
H7 H 0.66714 0.50000 0.16714 1.00000
Pd1 Pd 0.34888 0.37547 0.97341 1.00000
Pd2 Pd 0.59794 0.62453 0.97341 1.00000
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