TbSm2(YP2)3
Alexandria ALEXAlex-ID: agm030583756 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
TbY3P4 SmP
2025-01-24 23:14:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030583756).
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 agm030583756
data_agm030583756
_cell_length_a 9.05160
_cell_length_b 9.05160
_cell_length_c 8.09611
_cell_angle_alpha 77.07710
_cell_angle_beta 102.92290
_cell_angle_gamma 154.15771
_cell_volume 281.42695
_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
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.83382 0.16618 0.66755 1.00000
Sm2 Sm 0.16618 0.83382 0.33245 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.16683 0.83317 0.83391 1.00000
Y3 Y 0.83317 0.16683 0.16609 1.00000
P1 P 0.66558 0.33442 0.58651 1.00000
P2 P 0.66645 0.33355 0.07944 1.00000
P3 P 0.33442 0.66558 0.41349 1.00000
P4 P 0.99855 0.00145 0.24867 1.00000
P5 P 0.00145 0.99855 0.75133 1.00000
P6 P 0.33355 0.66645 0.92056 1.00000
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