Cr2H7Pd
Alexandria ALEXAlex-ID: agm006204522 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
H4Pd CrH H2
2023-11-03 13:20:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204522).
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 agm006204522
data_agm006204522
_cell_length_a 4.54200
_cell_length_b 4.73062
_cell_length_c 4.97339
_cell_angle_alpha 121.99411
_cell_angle_beta 59.75167
_cell_angle_gamma 116.58015
_cell_volume 75.87517
_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
H1 H 0.18340 0.81931 0.21547 1.00000
H2 H 0.72703 0.87316 0.72442 1.00000
H3 H 0.43856 0.35767 0.83564 1.00000
H4 H 0.95662 0.13991 0.21543 1.00000
H5 H 0.44786 0.84344 0.49306 1.00000
H6 H 0.52825 0.20614 0.23133 1.00000
H7 H 0.01154 0.63458 0.77644 1.00000
Pd1 Pd 0.97740 0.39058 0.98826 1.00000
Cr1 Cr 0.33623 0.99758 0.91679 1.00000
Cr2 Cr 0.62550 0.79501 0.07131 1.00000
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