Ca5(CeHo)2
Alexandria ALEXAlex-ID: agm009746763 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_652_spg12
Ca Ce Ho
2024-06-29 02:43:54.702656
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009746763).
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 agm009746763
data_agm009746763
_cell_length_a 6.93249
_cell_length_b 6.93433
_cell_length_c 8.84455
_cell_angle_alpha 79.30245
_cell_angle_beta 100.76672
_cell_angle_gamma 128.89731
_cell_volume 323.77737
_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 0.11872 0.88323 0.67445 1.00000
Ca2 Ca 0.88128 0.11677 0.32555 1.00000
Ca3 Ca 0.78320 0.21891 0.67752 1.00000
Ca4 Ca 0.21680 0.78109 0.32248 1.00000
Ca5 Ca 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.53569 0.46249 0.36437 1.00000
Ce2 Ce 0.46431 0.53751 0.63563 1.00000
Ho1 Ho 0.34512 0.65493 0.99277 1.00000
Ho2 Ho 0.65488 0.34507 0.00723 1.00000
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