La2TbPm5Y
Alexandria ALEXAlex-ID: agm005153299 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
Pm5Y Tb5Pm3 LaPm PmY2
2023-01-19 18:40:24.734680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153299).
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 agm005153299
data_agm005153299
_cell_length_a 5.73921
_cell_length_b 10.52657
_cell_length_c 10.88096
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.81938
_cell_volume 632.46700
_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 0.88202 0.76405 0.81861 1.00000
La2 La 0.11381 0.22762 0.73305 1.00000
La3 La 0.11798 0.23595 0.31861 1.00000
La4 La 0.88619 0.77238 0.23305 1.00000
Tb1 Tb 0.59034 0.18069 0.96238 1.00000
Tb2 Tb 0.40966 0.81931 0.46238 1.00000
Pm1 Pm 0.38794 0.77588 0.02179 1.00000
Pm2 Pm 0.71989 0.43978 0.81007 1.00000
Pm3 Pm 0.48106 0.96213 0.74236 1.00000
Pm4 Pm 0.29705 0.59409 0.70473 1.00000
Pm5 Pm 0.98387 0.96773 0.52138 1.00000
Pm6 Pm 0.61206 0.22412 0.52179 1.00000
Pm7 Pm 0.28011 0.56022 0.31007 1.00000
Pm8 Pm 0.51894 0.03787 0.24236 1.00000
Pm9 Pm 0.70295 0.40591 0.20473 1.00000
Pm10 Pm 0.01613 0.03227 0.02138 1.00000
Y1 Y 0.79786 0.59571 0.50961 1.00000
Y2 Y 0.20214 0.40429 0.00961 1.00000
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