Ca4SmH10
Alexandria ALEXAlex-ID: agm006512124 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_8_spg166
SmH2 CaH2
2024-03-03 15:57:53.246346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006512124).
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 agm006512124
data_agm006512124
_cell_length_a 15.82289
_cell_length_b 15.82289
_cell_length_c 15.82289
_cell_angle_alpha 13.80389
_cell_angle_beta 13.80389
_cell_angle_gamma 13.80389
_cell_volume 196.25558
_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 0.40025 0.40025 0.40025 1.00000
Ca2 Ca 0.80008 0.80008 0.80008 1.00000
Ca3 Ca 0.19992 0.19992 0.19992 1.00000
Ca4 Ca 0.59975 0.59975 0.59975 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
H1 H 0.95107 0.95107 0.95107 1.00000
H2 H 0.15014 0.15014 0.15014 1.00000
H3 H 0.55016 0.55016 0.55016 1.00000
H4 H 0.34897 0.34897 0.34897 1.00000
H5 H 0.75037 0.75037 0.75037 1.00000
H6 H 0.65103 0.65103 0.65103 1.00000
H7 H 0.84986 0.84986 0.84986 1.00000
H8 H 0.24963 0.24963 0.24963 1.00000
H9 H 0.04893 0.04893 0.04893 1.00000
H10 H 0.44984 0.44984 0.44984 1.00000
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