Y(Tm3Pd)2
Alexandria ALEXAlex-ID: agm005642874 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1813_spg12
YTm2 Tm2Pd
2023-07-10 15:44:20.309795
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642874).
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
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# CIF generated by HEAS from Alexandria entry agm005642874
data_agm005642874
_cell_length_a 3.63749
_cell_length_b 8.14556
_cell_length_c 8.57827
_cell_angle_alpha 79.42710
_cell_angle_beta 77.75938
_cell_angle_gamma 77.09822
_cell_volume 239.63374
_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 0.00000 0.50000 0.50000 1.00000
Tm1 Tm 0.03287 0.12404 0.81023 1.00000
Tm2 Tm 0.28725 0.31545 0.11006 1.00000
Tm3 Tm 0.71275 0.68455 0.88994 1.00000
Tm4 Tm 0.30569 0.83427 0.55436 1.00000
Tm5 Tm 0.69431 0.16573 0.44564 1.00000
Tm6 Tm 0.96713 0.87596 0.18977 1.00000
Pd1 Pd 0.40311 0.42269 0.77108 1.00000
Pd2 Pd 0.59689 0.57731 0.22892 1.00000
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