Th(MgCd3)3
Alexandria ALEXAlex-ID: agm006016597 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_17_spg12
Th(MgCd2)4 MgCd3 ThCd11
2023-08-09 21:27:50.308836
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006016597).
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 agm006016597
data_agm006016597
_cell_length_a 6.01683
_cell_length_b 7.59286
_cell_length_c 7.61477
_cell_angle_alpha 81.01644
_cell_angle_beta 66.72926
_cell_angle_gamma 66.71889
_cell_volume 293.55821
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
Mg3 Mg 0.50000 0.00000 0.50000 1.00000
Cd1 Cd 0.70825 0.78818 0.78629 1.00000
Cd2 Cd 0.29175 0.21182 0.21371 1.00000
Cd3 Cd 0.50546 0.21182 0.78629 1.00000
Cd4 Cd 0.49454 0.78818 0.21371 1.00000
Cd5 Cd 0.64875 0.34632 0.35004 1.00000
Cd6 Cd 0.35125 0.65368 0.64996 1.00000
Cd7 Cd 0.00121 0.65368 0.35004 1.00000
Cd8 Cd 0.99879 0.34632 0.64996 1.00000
Cd9 Cd 0.00000 0.50000 0.00000 1.00000
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