MgCr(H4Pd)2
Alexandria ALEXAlex-ID: agm007197992 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_184_spg1
Mg(HPd)2 CrH H2
2025-05-28 05:09:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007197992).
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 agm007197992
data_agm007197992
_cell_length_a 5.70033
_cell_length_b 5.37316
_cell_length_c 5.44681
_cell_angle_alpha 79.18496
_cell_angle_beta 126.45620
_cell_angle_gamma 119.62413
_cell_volume 115.29275
_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
Mg1 Mg 0.30278 0.15427 0.97911 1.00000
Cr1 Cr 0.01843 0.52425 0.62482 1.00000
H1 H 0.68148 0.20396 0.97757 1.00000
H2 H 0.45646 0.74585 0.81590 1.00000
H3 H 0.18972 0.45843 0.00568 1.00000
H4 H 0.40212 0.82958 0.33965 1.00000
H5 H 0.07720 0.26340 0.57772 1.00000
H6 H 0.84348 0.64605 0.25508 1.00000
H7 H 0.95817 0.74868 0.75617 1.00000
H8 H 0.57371 0.32775 0.43997 1.00000
Pd1 Pd 0.50336 0.03287 0.62493 1.00000
Pd2 Pd 0.99308 0.56491 0.10340 1.00000
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