Ac5LaSm2Er
Alexandria ALEXAlex-ID: agm005164733 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
LaEr2 La3Sm5 Ac SmEr2
2023-01-08 09:52:47.517376
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164733).
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 agm005164733
data_agm005164733
_cell_length_a 5.99430
_cell_length_b 11.28406
_cell_length_c 11.26470
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.40314
_cell_volume 734.57620
_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
Ac1 Ac 0.37258 0.74517 0.01803 1.00000
Ac2 Ac 0.72429 0.44858 0.82267 1.00000
Ac3 Ac 0.48665 0.97330 0.74591 1.00000
Ac4 Ac 0.29794 0.59587 0.70357 1.00000
Ac5 Ac 0.98834 0.97668 0.51240 1.00000
Ac6 Ac 0.62742 0.25483 0.51803 1.00000
Ac7 Ac 0.27571 0.55142 0.32267 1.00000
Ac8 Ac 0.51335 0.02670 0.24591 1.00000
Ac9 Ac 0.70206 0.40413 0.20357 1.00000
Ac10 Ac 0.01166 0.02332 0.01240 1.00000
La1 La 0.59293 0.18586 0.96309 1.00000
La2 La 0.40707 0.81414 0.46309 1.00000
Sm1 Sm 0.88654 0.77309 0.80048 1.00000
Sm2 Sm 0.11654 0.23307 0.74372 1.00000
Sm3 Sm 0.11346 0.22691 0.30048 1.00000
Sm4 Sm 0.88346 0.76693 0.24372 1.00000
Er1 Er 0.80962 0.61923 0.51410 1.00000
Er2 Er 0.19038 0.38077 0.01410 1.00000
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