CdMoH6
Alexandria ALEXAlex-ID: agm079606915 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_623_spg2
Mo2H3 H2 CdH4
2025-06-26 02:34:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079606915).
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 agm079606915
data_agm079606915
_cell_length_a 2.82432
_cell_length_b 5.11098
_cell_length_c 5.99239
_cell_angle_alpha 89.91433
_cell_angle_beta 91.26539
_cell_angle_gamma 89.95653
_cell_volume 86.47908
_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
Cd1 Cd 0.99376 0.92667 0.31273 1.00000
Mo1 Mo 0.49420 0.41501 0.31250 1.00000
H1 H 0.48399 0.22616 0.08099 1.00000
H2 H 0.50560 0.22544 0.54408 1.00000
H3 H 0.98479 0.46504 0.11258 1.00000
H4 H 0.00353 0.46453 0.51238 1.00000
H5 H 0.02531 0.96222 0.81244 1.00000
H6 H 0.00882 0.81495 0.81232 1.00000
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