CaPr(HoIn)2
Alexandria ALEXAlex-ID: agm048890630 · Space group: Pmma (#51)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_30_spg26
Ho2In CaPrIn
2025-02-04 09:20:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048890630).
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 agm048890630
data_agm048890630
_cell_length_a 5.45746
_cell_length_b 6.86483
_cell_length_c 9.45098
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 354.07646
_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 0.00753 0.99995 1.00000
Ca2 Ca 0.00000 0.50753 0.00005 1.00000
Pr1 Pr 0.50000 0.25763 0.83374 1.00000
Pr2 Pr 0.50000 0.75763 0.16626 1.00000
Ho1 Ho 0.50000 0.00768 0.50003 1.00000
Ho2 Ho 0.00000 0.25748 0.33439 1.00000
Ho3 Ho 0.50000 0.50768 0.49997 1.00000
Ho4 Ho 0.00000 0.75748 0.66561 1.00000
In1 In 0.00000 0.25727 0.65770 1.00000
In2 In 0.50000 0.25746 0.17817 1.00000
In3 In 0.00000 0.75727 0.34230 1.00000
In4 In 0.50000 0.75746 0.82183 1.00000
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