Ca2HoAgH8
Alexandria ALEXAlex-ID: agm081762452 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
CaH10 HoH3 Ag CaH2
2025-05-27 21:48:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm081762452).
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 agm081762452
data_agm081762452
_cell_length_a 5.18378
_cell_length_b 5.18750
_cell_length_c 6.51394
_cell_angle_alpha 113.42588
_cell_angle_beta 113.36843
_cell_angle_gamma 90.06586
_cell_volume 144.89650
_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 0.83347 0.25057 0.50027 1.00000
Ca2 Ca 0.33329 0.75027 0.49971 1.00000
Ho1 Ho 0.08335 0.00003 0.00010 1.00000
Ag1 Ag 0.58335 0.50022 0.99998 1.00000
H1 H 0.40863 0.32549 0.31798 1.00000
H2 H 0.45390 0.81354 0.18386 1.00000
H3 H 0.27032 0.18722 0.81632 1.00000
H4 H 0.71291 0.62936 0.81618 1.00000
H5 H 0.09203 0.67476 0.68293 1.00000
H6 H 0.75852 0.00700 0.68201 1.00000
H7 H 0.07382 0.99088 0.31684 1.00000
H8 H 0.89642 0.37067 0.18382 1.00000
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