CeCo2H7Pd2
Alexandria ALEXAlex-ID: agm006445936 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_506_spg8
Ce(CoH3)2 CePd3 Co HPd
2024-02-28 23:26:55.154613
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006445936).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006445936
data_agm006445936
_cell_length_a 7.09927
_cell_length_b 7.09927
_cell_length_c 7.09927
_cell_angle_alpha 148.99332
_cell_angle_beta 146.21302
_cell_angle_gamma 46.51077
_cell_volume 102.13559
_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
Ce1 Ce 0.50028 0.50000 0.00028 1.00000
Co1 Co 0.14805 0.10006 0.04799 1.00000
Co2 Co 0.94793 0.89994 0.04799 1.00000
H1 H 0.55937 0.10937 0.45000 1.00000
H2 H 0.80212 0.77102 0.03110 1.00000
H3 H 0.91721 0.39346 0.52375 1.00000
H4 H 0.34063 0.89063 0.45000 1.00000
H5 H 0.26008 0.22898 0.03110 1.00000
H6 H 0.13029 0.60654 0.52375 1.00000
H7 H 0.82917 0.00000 0.82917 1.00000
Pd1 Pd 0.77813 0.24584 0.53228 1.00000
Pd2 Pd 0.28644 0.75416 0.53228 1.00000
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