Th2MgZnRu2
Alexandria ALEXAlex-ID: agm058961894 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_33_spg72
ThZnRu ThMgRu
2025-02-07 09:42:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058961894).
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 agm058961894
data_agm058961894
_cell_length_a 8.90885
_cell_length_b 8.90885
_cell_length_c 5.61778
_cell_angle_alpha 71.63447
_cell_angle_beta 108.36553
_cell_angle_gamma 143.56109
_cell_volume 249.83699
_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 0.08787 0.42204 0.33299 1.00000
Th2 Th 0.57796 0.91213 0.83299 1.00000
Th3 Th 0.42204 0.08787 0.16701 1.00000
Th4 Th 0.91213 0.57796 0.66701 1.00000
Mg1 Mg 0.99986 0.99986 0.25000 1.00000
Mg2 Mg 0.00014 0.00014 0.75000 1.00000
Zn1 Zn 0.50016 0.50016 0.75000 1.00000
Zn2 Zn 0.49984 0.49984 0.25000 1.00000
Ru1 Ru 0.38163 0.11942 0.63098 1.00000
Ru2 Ru 0.61837 0.88058 0.36902 1.00000
Ru3 Ru 0.11942 0.38163 0.86902 1.00000
Ru4 Ru 0.88058 0.61837 0.13098 1.00000
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