La3Y4Tm3
Alexandria ALEXAlex-ID: agm005685360 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_22_spg38
LaY2 YTm2 LaTm2
2023-06-30 12:34:57.232196
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685360).
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 agm005685360
data_agm005685360
_cell_length_a 3.71620
_cell_length_b 9.55814
_cell_length_c 9.55814
_cell_angle_alpha 89.98938
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 339.50430
_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
La1 La 0.00000 0.50743 0.00448 1.00000
La2 La 0.00000 0.99552 0.49257 1.00000
La3 La 0.50000 0.17375 0.82625 1.00000
Y1 Y 0.00000 0.62514 0.37486 1.00000
Y2 Y 0.00000 0.38037 0.61963 1.00000
Y3 Y 0.00000 0.86963 0.88042 1.00000
Y4 Y 0.00000 0.11958 0.13037 1.00000
Tm1 Tm 0.50000 0.82609 0.17391 1.00000
Tm2 Tm 0.50000 0.32964 0.32715 1.00000
Tm3 Tm 0.50000 0.67285 0.67036 1.00000
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