Pr2Sm3HoAs6
Alexandria ALEXAlex-ID: agm034232272 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
SmAs PrAs HoAs
2025-02-28 10:34:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034232272).
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
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# CIF generated by HEAS from Alexandria entry agm034232272
data_agm034232272
_cell_length_a 9.44934
_cell_length_b 9.44934
_cell_length_c 8.45888
_cell_angle_alpha 77.07142
_cell_angle_beta 102.92858
_cell_angle_gamma 154.13471
_cell_volume 320.70253
_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
Pr1 Pr 0.16650 0.83350 0.33303 1.00000
Pr2 Pr 0.83350 0.16650 0.66697 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Sm2 Sm 0.83381 0.16619 0.16716 1.00000
Sm3 Sm 0.16619 0.83381 0.83284 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
As1 As 0.33657 0.66343 0.41483 1.00000
As2 As 0.33355 0.66645 0.92071 1.00000
As3 As 0.66343 0.33657 0.58517 1.00000
As4 As 0.00110 0.99890 0.74592 1.00000
As5 As 0.99890 0.00110 0.25408 1.00000
As6 As 0.66645 0.33355 0.07929 1.00000
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