CaAc4Sm3
Alexandria ALEXAlex-ID: agm006046751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_366_spg12
Ca Ac Sm
2023-09-15 16:48:59.020577
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006046751).
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 agm006046751
data_agm006046751
_cell_length_a 6.29480
_cell_length_b 6.47084
_cell_length_c 9.25119
_cell_angle_alpha 112.40402
_cell_angle_beta 109.89002
_cell_angle_gamma 90.00001
_cell_volume 323.93601
_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 0.50000 0.00000 0.00000 1.00000
Ac1 Ac 0.75744 0.31385 0.51488 1.00000
Ac2 Ac 0.24256 0.68615 0.48512 1.00000
Ac3 Ac 0.37163 0.33261 0.74325 1.00000
Ac4 Ac 0.62837 0.66739 0.25675 1.00000
Sm1 Sm 0.00000 0.50000 0.00000 1.00000
Sm2 Sm 0.87641 0.92088 0.75282 1.00000
Sm3 Sm 0.12359 0.07912 0.24718 1.00000
Get direct link