Ca2Ac2Sm
Alexandria ALEXAlex-ID: agm003406444 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_581_spg139
Ca Ac Sm
2022-02-09 20:26:37.836507
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003406444).
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 agm003406444
data_agm003406444
_cell_length_a 4.71593
_cell_length_b 4.71593
_cell_length_c 10.37365
_cell_angle_alpha 103.13835
_cell_angle_beta 103.13835
_cell_angle_gamma 90.00000
_cell_volume 218.46457
_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 0.75000 0.25000 0.50000 1.00000
Ca2 Ca 0.25000 0.75000 0.50000 1.00000
Ac1 Ac 0.40820 0.40820 0.81641 1.00000
Ac2 Ac 0.59180 0.59180 0.18359 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
