ThCd(H4Ru)2
Alexandria ALEXAlex-ID: agm004875573 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_328_spg12
CdH4 ThH6Ru Ru Cd
2023-01-01 22:27:16.766991
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875573).
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 agm004875573
data_agm004875573
_cell_length_a 4.47290
_cell_length_b 4.76212
_cell_length_c 6.39814
_cell_angle_alpha 66.29973
_cell_angle_beta 69.54040
_cell_angle_gamma 61.98952
_cell_volume 107.97076
_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
Th1 Th 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.93205 0.47567 0.66023 1.00000
H2 H 0.71532 0.45384 0.11551 1.00000
H3 H 0.06795 0.52433 0.33977 1.00000
H4 H 0.28468 0.54616 0.88449 1.00000
H5 H 0.55372 0.04779 0.33730 1.00000
H6 H 0.44628 0.95221 0.66270 1.00000
H7 H 0.06118 0.04779 0.33730 1.00000
H8 H 0.93882 0.95221 0.66270 1.00000
Ru1 Ru 0.27837 0.28689 0.15637 1.00000
Ru2 Ru 0.72163 0.71311 0.84363 1.00000
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