Y3Er5Tm4
Alexandria ALEXAlex-ID: agm005694751 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_119_spg2
Er2Tm ErTm2 Y5Er
2023-06-29 14:32:54.994944
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694751).
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 agm005694751
data_agm005694751
_cell_length_a 7.04332
_cell_length_b 11.11443
_cell_length_c 12.67292
_cell_angle_alpha 151.29719
_cell_angle_beta 56.30605
_cell_angle_gamma 129.25477
_cell_volume 368.93971
_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 0.58567 0.16843 0.33360 1.00000
Y2 Y 0.00000 0.00000 0.50000 1.00000
Y3 Y 0.41433 0.83157 0.66640 1.00000
Er1 Er 0.33282 0.66764 0.83465 1.00000
Er2 Er 0.50000 0.00000 0.50000 1.00000
Er3 Er 0.74944 0.50209 0.00154 1.00000
Er4 Er 0.25056 0.49791 0.99846 1.00000
Er5 Er 0.66718 0.33236 0.16535 1.00000
Tm1 Tm 0.91627 0.83381 0.66806 1.00000
Tm2 Tm 0.83297 0.66582 0.83338 1.00000
Tm3 Tm 0.16703 0.33418 0.16662 1.00000
Tm4 Tm 0.08373 0.16619 0.33194 1.00000
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