AlCr(CdH4)2
Alexandria ALEXAlex-ID: agm007252489 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1961_spg1
AlH3 CrH Cd CdH4
2024-02-08 21:48:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007252489).
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 agm007252489
data_agm007252489
_cell_length_a 5.24563
_cell_length_b 4.69664
_cell_length_c 6.98645
_cell_angle_alpha 106.23085
_cell_angle_beta 112.97320
_cell_angle_gamma 72.80628
_cell_volume 148.73096
_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
Al1 Al 0.99372 0.37468 0.84711 1.00000
Cr1 Cr 0.94408 0.95690 0.00944 1.00000
Cd1 Cd 0.80367 0.03565 0.38272 1.00000
Cd2 Cd 0.36109 0.39952 0.50260 1.00000
H1 H 0.77739 0.72336 0.78020 1.00000
H2 H 0.19214 0.03447 0.93755 1.00000
H3 H 0.74277 0.29265 0.92416 1.00000
H4 H 0.05965 0.15993 0.26236 1.00000
H5 H 0.69481 0.88130 0.07852 1.00000
H6 H 0.17491 0.61558 0.07096 1.00000
H7 H 0.17517 0.28833 0.68230 1.00000
H8 H 0.08056 0.73763 0.52207 1.00000
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