CaY(HoZn2)2
Alexandria ALEXAlex-ID: agm044676980 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
CaHo3Zn4 CaY3Zn4
2025-01-20 13:44:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044676980).
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 agm044676980
data_agm044676980
_cell_length_a 8.74781
_cell_length_b 8.74781
_cell_length_c 8.74781
_cell_angle_alpha 33.76359
_cell_angle_beta 33.76359
_cell_angle_gamma 33.76359
_cell_volume 184.23643
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.25076 0.25076 0.25076 1.00000
Ho2 Ho 0.74924 0.74924 0.74924 1.00000
Zn1 Zn 0.62329 0.62329 0.62329 1.00000
Zn2 Zn 0.12638 0.12638 0.12638 1.00000
Zn3 Zn 0.87362 0.87362 0.87362 1.00000
Zn4 Zn 0.37671 0.37671 0.37671 1.00000
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