Y4MgTc
Alexandria ALEXAlex-ID: agm005804153 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Y3Tc YMg
2023-07-30 08:29:50.575471
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804153).
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 agm005804153
data_agm005804153
_cell_length_a 6.25857
_cell_length_b 7.83502
_cell_length_c 7.83504
_cell_angle_alpha 110.68962
_cell_angle_beta 100.01968
_cell_angle_gamma 100.01951
_cell_volume 342.18419
_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
Y1 Y 0.88229 0.64013 0.80848 1.00000
Y2 Y 0.04957 0.93537 0.27270 1.00000
Y3 Y 0.61771 0.19152 0.35987 1.00000
Y4 Y 0.45043 0.72730 0.06462 1.00000
Y5 Y 0.54957 0.27270 0.93538 1.00000
Y6 Y 0.38229 0.80848 0.64013 1.00000
Y7 Y 0.95043 0.06463 0.72730 1.00000
Y8 Y 0.11771 0.35987 0.19152 1.00000
Mg1 Mg 0.75000 0.62219 0.37781 1.00000
Mg2 Mg 0.25000 0.37781 0.62219 1.00000
Tc1 Tc 0.24999 0.99876 0.00124 1.00000
Tc2 Tc 0.75001 0.00124 0.99876 1.00000
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