SmY3(HoP3)2
Alexandria ALEXAlex-ID: agm044794387 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
Y3HoP4 YHo3P4 SmP
2025-03-12 23:00:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044794387).
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 agm044794387
data_agm044794387
_cell_length_a 8.98791
_cell_length_b 8.98791
_cell_length_c 8.04281
_cell_angle_alpha 77.06820
_cell_angle_beta 102.93180
_cell_angle_gamma 154.13964
_cell_volume 275.82222
_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
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.83289 0.16711 0.66614 1.00000
Y3 Y 0.16711 0.83289 0.33386 1.00000
Ho1 Ho 0.16672 0.83328 0.83284 1.00000
Ho2 Ho 0.83328 0.16672 0.16716 1.00000
P1 P 0.33147 0.66853 0.91706 1.00000
P2 P 0.33325 0.66675 0.41551 1.00000
P3 P 0.66853 0.33147 0.08294 1.00000
P4 P 0.99970 0.00030 0.25367 1.00000
P5 P 0.00030 0.99970 0.74633 1.00000
P6 P 0.66675 0.33325 0.58449 1.00000
Get direct link