Cs3Pr3Ho2
Alexandria ALEXAlex-ID: agm009479529 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_5_spg193
Pr2Ho7 Cs Pr
2024-05-28 20:56:26.438456
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009479529).
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 agm009479529
data_agm009479529
_cell_length_a 12.35577
_cell_length_b 12.35577
_cell_length_c 6.15779
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 814.13249
_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
Cs1 Cs 0.00000 0.60450 0.75000 1.00000
Cs2 Cs 0.60450 0.00000 0.75000 1.00000
Cs3 Cs 0.39550 0.39550 0.75000 1.00000
Cs4 Cs 0.00000 0.39550 0.25000 1.00000
Cs5 Cs 0.39550 0.00000 0.25000 1.00000
Cs6 Cs 0.60450 0.60450 0.25000 1.00000
Pr1 Pr 0.00000 0.16859 0.75000 1.00000
Pr2 Pr 0.16859 0.00000 0.75000 1.00000
Pr3 Pr 0.83141 0.83141 0.75000 1.00000
Pr4 Pr 0.00000 0.83141 0.25000 1.00000
Pr5 Pr 0.83141 0.00000 0.25000 1.00000
Pr6 Pr 0.16859 0.16859 0.25000 1.00000
Ho1 Ho 0.33333 0.66667 0.00000 1.00000
Ho2 Ho 0.66667 0.33333 0.50000 1.00000
Ho3 Ho 0.66667 0.33333 0.00000 1.00000
Ho4 Ho 0.33333 0.66667 0.50000 1.00000
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